(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide

C13H18N2O2S — CID 95281938

IUPAC(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@H]1CCC(=O)N1)c1cccs1
InChIInChI=1S/C13H18N2O2S/c1-8(2)12(10-4-3-7-18-10)15-13(17)9-5-6-11(16)14-9/h3-4,7-9,12H,5-6H2,1-2H3,(H,14,16)(H,15,17)/t9-,12+/m1/s1
InChIKeyXTMXWTGGXFVJLS-SKDRFNHKSA-N
MW266.37 g/mol
LogP1.84
Rot. Bonds4

About (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95281938) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95281938
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@H]1CCC(=O)N1)c1cccs1
InChIInChI=1S/C13H18N2O2S/c1-8(2)12(10-4-3-7-18-10)15-13(17)9-5-6-11(16)14-9/h3-4,7-9,12H,5-6H2,1-2H3,(H,14,16)(H,15,17)/t9-,12+/m1/s1
InChIKeyXTMXWTGGXFVJLS-SKDRFNHKSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
CID 107434506
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one
CID 63661199
(2R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]oxolane-2-carboxamide
CID 39968344
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81124404
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435
(1S,6R)-6-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103710109
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261513
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide (CID 95281938) is (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide is CC(C)[C@H](NC(=O)[C@H]1CCC(=O)N1)c1cccs1.
What is the InChIKey of (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XTMXWTGGXFVJLS-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8(2)12(10-4-3-7-18-10)15-13(17)9-5-6-11(16)14-9/h3-4,7-9,12H,5-6H2,1-2H3,(H,14,16)(H,15,17)/t9-,12+/m1/s1.
What are the key properties of (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95281938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).