[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

C17H19NOS2 — CID 8949501

IUPAC[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
SMILESCSCc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1
InChIInChI=1S/C17H19NOS2/c1-12-15-8-10-21-16(15)7-9-18(12)17(19)14-5-3-13(4-6-14)11-20-2/h3-6,8,10,12H,7,9,11H2,1-2H3/t12-/m0/s1
InChIKeyVGMWLBKEWGWMRV-LBPRGKRZSA-N
MW317.48 g/mol
LogP4.37
Rot. Bonds3

About [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone (PubChem CID 8949501) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
PubChem CID8949501
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
SMILESCSCc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1
InChIInChI=1S/C17H19NOS2/c1-12-15-8-10-21-16(15)7-9-18(12)17(19)14-5-3-13(4-6-14)11-20-2/h3-6,8,10,12H,7,9,11H2,1-2H3/t12-/m0/s1
InChIKeyVGMWLBKEWGWMRV-LBPRGKRZSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone with MolForge

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Related Compounds

[4-(methylsulfanylmethyl)phenyl]-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429502
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 8948835
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-nitrophenyl)methanone
CID 8948751
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 55567185
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 95350854
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 32691507
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-pyridin-3-ylmethanone
CID 47120180
(3-iodophenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8948818

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone?
The IUPAC name of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone (CID 8949501) is [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone.
What is the SMILES notation for [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone?
The canonical SMILES for [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone is CSCc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1.
What is the InChIKey of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone?
The InChIKey is VGMWLBKEWGWMRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NOS2/c1-12-15-8-10-21-16(15)7-9-18(12)17(19)14-5-3-13(4-6-14)11-20-2/h3-6,8,10,12H,7,9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone?
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone has a molecular weight of 317.48 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 8949501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).