(2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

C15H21N3O2S — CID 94058661

IUPAC(2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C15H21N3O2S/c19-14-12(4-1-2-7-16-14)17-15(20)18-8-3-5-13(18)11-6-9-21-10-11/h6,9-10,12-13H,1-5,7-8H2,(H,16,19)(H,17,20)/t12-,13+/m0/s1
InChIKeyVTFVQCRUWHEIDO-QWHCGFSZSA-N
MW307.42 g/mol
LogP2.26
Rot. Bonds2

About (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

(2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 94058661) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID94058661
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C15H21N3O2S/c19-14-12(4-1-2-7-16-14)17-15(20)18-8-3-5-13(18)11-6-9-21-10-11/h6,9-10,12-13H,1-5,7-8H2,(H,16,19)(H,17,20)/t12-,13+/m0/s1
InChIKeyVTFVQCRUWHEIDO-QWHCGFSZSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide 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

(2S)-N-[(3R)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94058656
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 51084353
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
1-(2-oxoazepan-3-yl)-3-(2-thiophen-3-ylethyl)urea
CID 47248756

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 94058661) is (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is VTFVQCRUWHEIDO-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-14-12(4-1-2-7-16-14)17-15(20)18-8-3-5-13(18)11-6-9-21-10-11/h6,9-10,12-13H,1-5,7-8H2,(H,16,19)(H,17,20)/t12-,13+/m0/s1.
What are the key properties of (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
(2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94058661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).