4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one

C13H23NO4S — CID 79610502

IUPAC4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
SMILESCS(=O)(=O)N1CCCC(CC2(O)CCC(=O)CC2)C1
InChIInChI=1S/C13H23NO4S/c1-19(17,18)14-8-2-3-11(10-14)9-13(16)6-4-12(15)5-7-13/h11,16H,2-10H2,1H3
InChIKeyWRVSKMDCVVFIJV-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.92
Rot. Bonds3

About 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one

4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one (PubChem CID 79610502) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
PubChem CID79610502
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
SMILESCS(=O)(=O)N1CCCC(CC2(O)CCC(=O)CC2)C1
InChIInChI=1S/C13H23NO4S/c1-19(17,18)14-8-2-3-11(10-14)9-13(16)6-4-12(15)5-7-13/h11,16H,2-10H2,1H3
InChIKeyWRVSKMDCVVFIJV-UHFFFAOYSA-N
XLogP0.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one 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

1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79620255
3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 80561478
3-[(1-methylsulfonylpiperidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79612923
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-oxocyclopentane-1-carbonitrile
CID 79623268
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
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one (CID 79610502) is 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one is CS(=O)(=O)N1CCCC(CC2(O)CCC(=O)CC2)C1.
What is the InChIKey of 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one?
The InChIKey is WRVSKMDCVVFIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-19(17,18)14-8-2-3-11(10-14)9-13(16)6-4-12(15)5-7-13/h11,16H,2-10H2,1H3.
What are the key properties of 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one?
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one has a molecular weight of 289.40 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 79610502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).