N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide

C13H24N2O3S — CID 45236803

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-2-19(17,18)14-12-8-13(16)15(10-12)9-11-6-4-3-5-7-11/h11-12,14H,2-10H2,1H3
InChIKeyCVLDVDSVTFGYPW-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.11
Rot. Bonds5

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide (PubChem CID 45236803) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide
PubChem CID45236803
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-2-19(17,18)14-12-8-13(16)15(10-12)9-11-6-4-3-5-7-11/h11-12,14H,2-10H2,1H3
InChIKeyCVLDVDSVTFGYPW-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide (CID 45236803) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is CVLDVDSVTFGYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-2-19(17,18)14-12-8-13(16)15(10-12)9-11-6-4-3-5-7-11/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 288.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 45236803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).