N-[(2-fluorocyclohexyl)methyl]methanesulfonamide

C8H16FNO2S — CID 162206415

IUPACN-[(2-fluorocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCC1F
InChIInChI=1S/C8H16FNO2S/c1-13(11,12)10-6-7-4-2-3-5-8(7)9/h7-8,10H,2-6H2,1H3
InChIKeyPCTOIZLHXSWOCP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.06
Rot. Bonds3

About N-[(2-fluorocyclohexyl)methyl]methanesulfonamide

N-[(2-fluorocyclohexyl)methyl]methanesulfonamide (PubChem CID 162206415) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(2-fluorocyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorocyclohexyl)methyl]methanesulfonamide
PubChem CID162206415
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC NameN-[(2-fluorocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCC1F
InChIInChI=1S/C8H16FNO2S/c1-13(11,12)10-6-7-4-2-3-5-8(7)9/h7-8,10H,2-6H2,1H3
InChIKeyPCTOIZLHXSWOCP-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-fluorocyclohexyl)methyl]methanesulfonamide 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-[(2-fluorocyclohexyl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-fluorocyclohexyl)methyl]methanesulfonamide (CID 162206415) is N-[(2-fluorocyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-fluorocyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-fluorocyclohexyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCC1F.
What is the InChIKey of N-[(2-fluorocyclohexyl)methyl]methanesulfonamide?
The InChIKey is PCTOIZLHXSWOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-13(11,12)10-6-7-4-2-3-5-8(7)9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[(2-fluorocyclohexyl)methyl]methanesulfonamide?
N-[(2-fluorocyclohexyl)methyl]methanesulfonamide has a molecular weight of 209.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorocyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 162206415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).