(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

C15H22N2O2S — CID 100836454

IUPAC(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H]1c1cccs1)[C@@H]1CCCO1
InChIInChI=1S/C15H22N2O2S/c1-11(13-6-3-9-19-13)16-15(18)17-8-2-5-12(17)14-7-4-10-20-14/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,16,18)/t11-,12-,13-/m0/s1
InChIKeyYXHFFZMTDHUCTE-AVGNSLFASA-N
MW294.42 g/mol
LogP3.16
Rot. Bonds3

About (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 100836454) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID100836454
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H]1c1cccs1)[C@@H]1CCCO1
InChIInChI=1S/C15H22N2O2S/c1-11(13-6-3-9-19-13)16-15(18)17-8-2-5-12(17)14-7-4-10-20-14/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,16,18)/t11-,12-,13-/m0/s1
InChIKeyYXHFFZMTDHUCTE-AVGNSLFASA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-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-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 100836452
(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51957994
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 124839563
N-[1-(oxolan-2-yl)ethyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 136578840
(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 124830290
(2S)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94120095
(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 111427958
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide
CID 35262137
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51118263
5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 55822134
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 100840537
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 100836454) is (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is YXHFFZMTDHUCTE-AVGNSLFASA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(13-6-3-9-19-13)16-15(18)17-8-2-5-12(17)14-7-4-10-20-14/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,16,18)/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 100836454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).