N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide

C11H21NO4S — CID 103798336

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1CCCCC1CO)S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-8(17(2,15)16)11(14)12-10-6-4-3-5-9(10)7-13/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyBZYRIJYRRJGNFR-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.09
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide

N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide (PubChem CID 103798336) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
PubChem CID103798336
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1CCCCC1CO)S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-8(17(2,15)16)11(14)12-10-6-4-3-5-9(10)7-13/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyBZYRIJYRRJGNFR-UHFFFAOYSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide 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-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide (CID 103798336) is N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide is CC(C(=O)NC1CCCCC1CO)S(C)(=O)=O.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide?
The InChIKey is BZYRIJYRRJGNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(17(2,15)16)11(14)12-10-6-4-3-5-9(10)7-13/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide has a molecular weight of 263.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 103798336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).