N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C13H24N2O3S — CID 954162

IUPACN-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)15(12-7-3-2-4-8-12)11-13(16)14-9-5-6-10-14/h12H,2-11H2,1H3
InChIKeyBWODALJJBNBQMA-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.20
Rot. Bonds4

About N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 954162) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID954162
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)15(12-7-3-2-4-8-12)11-13(16)14-9-5-6-10-14/h12H,2-11H2,1H3
InChIKeyBWODALJJBNBQMA-UHFFFAOYSA-N
XLogP1.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 954162) is N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is BWODALJJBNBQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-19(17,18)15(12-7-3-2-4-8-12)11-13(16)14-9-5-6-10-14/h12H,2-11H2,1H3.
What are the key properties of N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 288.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 954162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).