(2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

C15H20N2O2S — CID 95748637

IUPAC(2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCN(CC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1
InChIInChI=1S/C15H20N2O2S/c1-16(9-10-5-6-10)15(19)11-8-13(18)17(2)14(11)12-4-3-7-20-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3/t11-,14-/m0/s1
InChIKeyAWXZAKCSFLCINT-FZMZJTMJSA-N
MW292.40 g/mol
LogP2.14
Rot. Bonds4

About (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

(2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (PubChem CID 95748637) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
PubChem CID95748637
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCN(CC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1
InChIInChI=1S/C15H20N2O2S/c1-16(9-10-5-6-10)15(19)11-8-13(18)17(2)14(11)12-4-3-7-20-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3/t11-,14-/m0/s1
InChIKeyAWXZAKCSFLCINT-FZMZJTMJSA-N
XLogP2.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119172352
2-[methyl-[(2S,3R)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]acetic acid
CID 125154369
(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738826
(4S,5S)-4-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-5-thiophen-2-ylpyrrolidin-2-one
CID 125146356
1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 75538102
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079
(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 97457021
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089
(2S,3R)-1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97457005
N-methyl-1-(4-methylphenyl)-N-(2-methylsulfonylethyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 86886765
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166
1-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953964

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (CID 95748637) is (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is CN(CC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1.
What is the InChIKey of (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AWXZAKCSFLCINT-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-16(9-10-5-6-10)15(19)11-8-13(18)17(2)14(11)12-4-3-7-20-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
(2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95748637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).