2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol

C13H25NO3S — CID 65046022

IUPAC2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCCC1NCC1CCCCC1O
InChIInChI=1S/C13H25NO3S/c1-18(16,17)13-8-4-6-11(13)14-9-10-5-2-3-7-12(10)15/h10-15H,2-9H2,1H3
InChIKeyQLCKAUSYBHEERB-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.09
Rot. Bonds4

About 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol

2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65046022) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
PubChem CID65046022
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCCC1NCC1CCCCC1O
InChIInChI=1S/C13H25NO3S/c1-18(16,17)13-8-4-6-11(13)14-9-10-5-2-3-7-12(10)15/h10-15H,2-9H2,1H3
InChIKeyQLCKAUSYBHEERB-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol 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 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol (CID 65046022) is 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol is CS(=O)(=O)C1CCCC1NCC1CCCCC1O.
What is the InChIKey of 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QLCKAUSYBHEERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-18(16,17)13-8-4-6-11(13)14-9-10-5-2-3-7-12(10)15/h10-15H,2-9H2,1H3.
What are the key properties of 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 275.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65046022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).