1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide

C13H24N2O3S — CID 126826580

IUPAC1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide
SMILESCC1(C)CNC(=O)C1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-13(2)9-14-12(16)11(13)15-19(17,18)8-10-6-4-3-5-7-10/h10-11,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyFOITWPUYJQEFHK-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.01
Rot. Bonds4

About 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide

1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide (PubChem CID 126826580) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide
PubChem CID126826580
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide
SMILESCC1(C)CNC(=O)C1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-13(2)9-14-12(16)11(13)15-19(17,18)8-10-6-4-3-5-7-10/h10-11,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyFOITWPUYJQEFHK-UHFFFAOYSA-N
XLogP1.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide (CID 126826580) is 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide is CC1(C)CNC(=O)C1NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide?
The InChIKey is FOITWPUYJQEFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-13(2)9-14-12(16)11(13)15-19(17,18)8-10-6-4-3-5-7-10/h10-11,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide?
1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide has a molecular weight of 288.41 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 126826580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).