(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide

C13H14N2O2S2 — CID 95933696

IUPAC(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
SMILESNS(=O)(=O)N1CCc2sccc2[C@@H]1c1ccccc1
InChIInChI=1S/C13H14N2O2S2/c14-19(16,17)15-8-6-12-11(7-9-18-12)13(15)10-4-2-1-3-5-10/h1-5,7,9,13H,6,8H2,(H2,14,16,17)/t13-/m0/s1
InChIKeyCKFJDPAYWLDTDQ-ZDUSSCGKSA-N
MW294.40 g/mol
LogP1.90
Rot. Bonds2

About (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide

(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide (PubChem CID 95933696) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
PubChem CID95933696
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
SMILESNS(=O)(=O)N1CCc2sccc2[C@@H]1c1ccccc1
InChIInChI=1S/C13H14N2O2S2/c14-19(16,17)15-8-6-12-11(7-9-18-12)13(15)10-4-2-1-3-5-10/h1-5,7,9,13H,6,8H2,(H2,14,16,17)/t13-/m0/s1
InChIKeyCKFJDPAYWLDTDQ-ZDUSSCGKSA-N
XLogP1.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 42888748
N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
CID 26540145
1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55508346
(4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 7298517
(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 95285356
(4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 30795922
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46546069
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 26009328

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide?
The IUPAC name of (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide (CID 95933696) is (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide.
What is the SMILES notation for (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide?
The canonical SMILES for (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide is NS(=O)(=O)N1CCc2sccc2[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide?
The InChIKey is CKFJDPAYWLDTDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c14-19(16,17)15-8-6-12-11(7-9-18-12)13(15)10-4-2-1-3-5-10/h1-5,7,9,13H,6,8H2,(H2,14,16,17)/t13-/m0/s1.
What are the key properties of (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide?
(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide has a molecular weight of 294.40 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide is sourced from PubChem (CID 95933696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).