1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide

C14H24N2O4S — CID 110612385

IUPAC1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C14H24N2O4S/c1-21(19,20)8-7-15-14(18)11-9-13(17)16(10-11)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyFLHOWMAMWZIDKW-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.33
Rot. Bonds5

About 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110612385) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110612385
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C14H24N2O4S/c1-21(19,20)8-7-15-14(18)11-9-13(17)16(10-11)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyFLHOWMAMWZIDKW-UHFFFAOYSA-N
XLogP0.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[2-(methylsulfamoyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110631722
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110611855

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide (CID 110612385) is 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)CCNC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FLHOWMAMWZIDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-21(19,20)8-7-15-14(18)11-9-13(17)16(10-11)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 316.42 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110612385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).