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

C12H14N2O2S — CID 164637601

IUPAC(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCc3sccc3C2)N1
InChIInChI=1S/C12H14N2O2S/c15-11-2-1-9(13-11)12(16)14-5-3-10-8(7-14)4-6-17-10/h4,6,9H,1-3,5,7H2,(H,13,15)/t9-/m0/s1
InChIKeyHKUXVMKWGXZESF-VIFPVBQESA-N
MW250.32 g/mol
LogP0.91
Rot. Bonds1

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

(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one (PubChem CID 164637601) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one
PubChem CID164637601
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCc3sccc3C2)N1
InChIInChI=1S/C12H14N2O2S/c15-11-2-1-9(13-11)12(16)14-5-3-10-8(7-14)4-6-17-10/h4,6,9H,1-3,5,7H2,(H,13,15)/t9-/m0/s1
InChIKeyHKUXVMKWGXZESF-VIFPVBQESA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
Proline scaffold, 32
CID 42618129
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxo-N-(thiophen-2-ylmethyl)prolinamide
CID 3881425
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4425543
(2S)-1-[(2S,4S)-4-[2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 46938706
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4306436
Proline scaffold, 12
CID 42618110
1-[2,5-Dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 2980621
N-cyclopentyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 3239395
N-cyclooctyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 5053118
2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 46943643

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one (CID 164637601) is (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCc3sccc3C2)N1.
What is the InChIKey of (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one?
The InChIKey is HKUXVMKWGXZESF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-11-2-1-9(13-11)12(16)14-5-3-10-8(7-14)4-6-17-10/h4,6,9H,1-3,5,7H2,(H,13,15)/t9-/m0/s1.
What are the key properties of (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one?
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one has a molecular weight of 250.32 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 164637601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).