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

C12H25NO3S — CID 65115924

IUPAC3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNC(C)CS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO3S/c1-10-5-4-6-12(14,7-10)9-13-11(2)8-17(3,15)16/h10-11,13-14H,4-9H2,1-3H3
InChIKeySVDVRELYIKBMQL-UHFFFAOYSA-N
MW263.40 g/mol
LogP0.95
Rot. Bonds5

About 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol

3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65115924) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID65115924
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNC(C)CS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO3S/c1-10-5-4-6-12(14,7-10)9-13-11(2)8-17(3,15)16/h10-11,13-14H,4-9H2,1-3H3
InChIKeySVDVRELYIKBMQL-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[(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 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol (CID 65115924) is 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol is CC1CCCC(O)(CNC(C)CS(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is SVDVRELYIKBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10-5-4-6-12(14,7-10)9-13-11(2)8-17(3,15)16/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol?
3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 263.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).