Niperotidine
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
Molecular Identity
Niperotidine
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
PubChem CID: 66753191
Niperotidine is a member of benzodioxoles.
2D Structure
Properties
C20H26N4O5S
Molecular Formula
434.50
Molecular Weight
g/mol
434.1624
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
574
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3Isomeric SMILES
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3Synonyms(20)
NiperotidineNiperotidinaNiperotidinum84845-75-012JBD7U72KDTXSID201016745N-(1,3-Benzodioxol-5-ylmethyl)-N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamineN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-2-nitro-1,1-ethenediamineRefChem:165988A02BA05DTXCID901474928((2H-1,3-benzodioxol-5-yl)methyl)(1-((2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)sulfanyl)ethyl)amino)-2-nitroethenyl)amine284-304-0Niperotidine [INN]N-(2-((5-((Dimethylamino)methyl)furfuryl)thio)ethyl)-2-nitro-N'-piperonyl-1,1-ethenediamine
Data from PubChem (NCBI)
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Drug Network
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