1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one

C19H20N2O2S — CID 8950060

IUPAC1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one
SMILESC[C@H]1c2ccsc2CCN1C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H20N2O2S/c1-13-16-8-11-24-17(16)7-10-20(13)19(23)14-4-2-5-15(12-14)21-9-3-6-18(21)22/h2,4-5,8,11-13H,3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyROTWNRDLZRRPPK-ZDUSSCGKSA-N
MW340.45 g/mol
LogP3.63
Rot. Bonds2

About 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one

1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 8950060) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID8950060
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one
SMILESC[C@H]1c2ccsc2CCN1C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H20N2O2S/c1-13-16-8-11-24-17(16)7-10-20(13)19(23)14-4-2-5-15(12-14)21-9-3-6-18(21)22/h2,4-5,8,11-13H,3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyROTWNRDLZRRPPK-ZDUSSCGKSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-iodophenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8948818
1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one
CID 110312260
(3-methoxyphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156078
3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 8949305
[(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)-pyridin-3-ylmethanone
CID 47120180
4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide
CID 175657009
(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
2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93469546
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55794078

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one (CID 8950060) is 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one is C[C@H]1c2ccsc2CCN1C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is ROTWNRDLZRRPPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-16-8-11-24-17(16)7-10-20(13)19(23)14-4-2-5-15(12-14)21-9-3-6-18(21)22/h2,4-5,8,11-13H,3,6-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 340.45 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 8950060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).