2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol

C11H23NO3S — CID 64928110

IUPAC2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(CS(C)(=O)=O)NCC1CCCCC1O
InChIInChI=1S/C11H23NO3S/c1-9(8-16(2,14)15)12-7-10-5-3-4-6-11(10)13/h9-13H,3-8H2,1-2H3
InChIKeyJRWNMEABOFKACH-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.56
Rot. Bonds5

About 2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol

2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 64928110) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID64928110
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(CS(C)(=O)=O)NCC1CCCCC1O
InChIInChI=1S/C11H23NO3S/c1-9(8-16(2,14)15)12-7-10-5-3-4-6-11(10)13/h9-13H,3-8H2,1-2H3
InChIKeyJRWNMEABOFKACH-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylsulfonylpropan-2-ylamino)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-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol (CID 64928110) is 2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol is CC(CS(C)(=O)=O)NCC1CCCCC1O.
What is the InChIKey of 2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is JRWNMEABOFKACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(8-16(2,14)15)12-7-10-5-3-4-6-11(10)13/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol?
2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64928110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).