1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol

C13H25NO3S — CID 79610971

IUPAC1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC2(O)CCCCC2)C1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)14-9-5-6-12(11-14)10-13(15)7-3-2-4-8-13/h12,15H,2-11H2,1H3
InChIKeyAMHNTWVIFCHPEJ-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.74
Rot. Bonds3

About 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol

1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol (PubChem CID 79610971) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
PubChem CID79610971
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC2(O)CCCCC2)C1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)14-9-5-6-12(11-14)10-13(15)7-3-2-4-8-13/h12,15H,2-11H2,1H3
InChIKeyAMHNTWVIFCHPEJ-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1-methylsulfonylpiperidin-3-yl)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

Related Compounds

4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502
3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 80561478
4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79620255
3-[(1-methylsulfonylpiperidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79612923
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 79622813
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 79621983
3-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79611219
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-propylazepane
CID 79619580
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol (CID 79610971) is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol is CS(=O)(=O)N1CCCC(CC2(O)CCCCC2)C1.
What is the InChIKey of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is AMHNTWVIFCHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-18(16,17)14-9-5-6-12(11-14)10-13(15)7-3-2-4-8-13/h12,15H,2-11H2,1H3.
What are the key properties of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 275.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 79610971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).