S-18986
(3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
Molecular Identity
S-18986
(3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
PubChem CID: 637863
2D Structure
Properties
C10H12N2O2S
Molecular Formula
224.28
Molecular Weight
g/mol
224.0619
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
57.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
349
Complexity
SMILES
Canonical SMILES
SMILES: C1CC2NS(=O)(=O)C3=CC=CC=C3N2C1Isomeric SMILES
SMILES: C1C[C@@H]2NS(=O)(=O)C3=CC=CC=C3N2C1Synonyms(20)
175340-20-2S-18986S18986(3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxideUNII-IA262432Y9IA262432Y9S18986-1S 18986-1(S)-2,3-dihydro-(3,4)cyclopentano-1,2,4-benzothiadiazine-1,1-dioxide(+)-S-18986(3AS)-2,3,3A,4-TETRAHYDRO-1H-PYRROLO(2,1-C)(1,2,4)BENZOTHIADIAZINE 5,5-DIOXIDE(6S)-8$l^{6}-thia-2,7-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-triene-8,8-dione1H-PYRROLO(2,1-C)(1,2,4)BENZOTHIADIAZINE, 2,3,3A,4-TETRAHYDRO-, 5,5-DIOXIDE, (3AS)-(S)-2,3-dihydro-[3,4]cyclopentano-1,2,4-benzothiadiazine-1,1-dioxide(6S)-8$l^(6)-thia-2,7-diazatricyclo(7.4.0.0^(2,6))trideca-1(9),10,12-triene-8,8-dione
Data from PubChem (NCBI)
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Drug Network
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