(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C12H13NO2S3 — CID 95285356

IUPAC(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCS(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1
InChIInChI=1S/C12H13NO2S3/c1-18(14,15)13-6-4-10-9(5-8-17-10)12(13)11-3-2-7-16-11/h2-3,5,7-8,12H,4,6H2,1H3/t12-/m0/s1
InChIKeyCRGAIPYMSLORQZ-LBPRGKRZSA-N
MW299.44 g/mol
LogP2.72
Rot. Bonds2

About (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine

(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 95285356) has the molecular formula C12H13NO2S3 and a molecular weight of 299.44 g/mol. Its IUPAC name is (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID95285356
Molecular FormulaC12H13NO2S3
Molecular Weight299.44 g/mol
Exact Mass299.01
IUPAC Name(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCS(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1
InChIInChI=1S/C12H13NO2S3/c1-18(14,15)13-6-4-10-9(5-8-17-10)12(13)11-3-2-7-16-11/h2-3,5,7-8,12H,4,6H2,1H3/t12-/m0/s1
InChIKeyCRGAIPYMSLORQZ-LBPRGKRZSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfonylpiperazin-1-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 40817492
5-butyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 75853568
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 95933696
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 5263889
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 56807771
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412408
(2-nitrophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576989

Frequently Asked Questions

What is the IUPAC name of (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 95285356) is (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CS(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1.
What is the InChIKey of (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is CRGAIPYMSLORQZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13NO2S3/c1-18(14,15)13-6-4-10-9(5-8-17-10)12(13)11-3-2-7-16-11/h2-3,5,7-8,12H,4,6H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 299.44 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 95285356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).