N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide

C15H21NO3S — CID 134387084

IUPACN-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)Cc2ccccc2)=CC(O)C1
InChIInChI=1S/C15H21NO3S/c1-15(2)9-13(8-14(17)10-15)16-20(18,19)11-12-6-4-3-5-7-12/h3-8,14,16-17H,9-11H2,1-2H3
InChIKeyLBRUDKJWTZUWFE-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.17
Rot. Bonds4

About N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide

N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide (PubChem CID 134387084) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide
PubChem CID134387084
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)Cc2ccccc2)=CC(O)C1
InChIInChI=1S/C15H21NO3S/c1-15(2)9-13(8-14(17)10-15)16-20(18,19)11-12-6-4-3-5-7-12/h3-8,14,16-17H,9-11H2,1-2H3
InChIKeyLBRUDKJWTZUWFE-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide (CID 134387084) is N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide is CC1(C)CC(NS(=O)(=O)Cc2ccccc2)=CC(O)C1.
What is the InChIKey of N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide?
The InChIKey is LBRUDKJWTZUWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-15(2)9-13(8-14(17)10-15)16-20(18,19)11-12-6-4-3-5-7-12/h3-8,14,16-17H,9-11H2,1-2H3.
What are the key properties of N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide?
N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 134387084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).