N-methylsulfonylcyclohexanecarboxamide

C8H15NO3S — CID 47232701

IUPACN-methylsulfonylcyclohexanecarboxamide
SMILESCS(=O)(=O)NC(=O)C1CCCCC1
InChIInChI=1S/C8H15NO3S/c1-13(11,12)9-8(10)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyZSXBRVPIJWVJDD-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.64
Rot. Bonds2

About N-methylsulfonylcyclohexanecarboxamide

N-methylsulfonylcyclohexanecarboxamide (PubChem CID 47232701) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-methylsulfonylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-methylsulfonylcyclohexanecarboxamide
PubChem CID47232701
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-methylsulfonylcyclohexanecarboxamide
SMILESCS(=O)(=O)NC(=O)C1CCCCC1
InChIInChI=1S/C8H15NO3S/c1-13(11,12)9-8(10)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyZSXBRVPIJWVJDD-UHFFFAOYSA-N
XLogP0.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methylsulfonylcyclohexanecarboxamide 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-methylsulfonylcyclohexanecarboxamide?
The IUPAC name of N-methylsulfonylcyclohexanecarboxamide (CID 47232701) is N-methylsulfonylcyclohexanecarboxamide.
What is the SMILES notation for N-methylsulfonylcyclohexanecarboxamide?
The canonical SMILES for N-methylsulfonylcyclohexanecarboxamide is CS(=O)(=O)NC(=O)C1CCCCC1.
What is the InChIKey of N-methylsulfonylcyclohexanecarboxamide?
The InChIKey is ZSXBRVPIJWVJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13(11,12)9-8(10)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of N-methylsulfonylcyclohexanecarboxamide?
N-methylsulfonylcyclohexanecarboxamide has a molecular weight of 205.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylcyclohexanecarboxamide is sourced from PubChem (CID 47232701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).