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

C14H28N2O3S — CID 106132238

IUPAC3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCCC(CNCC2CCCC(O)C2)C1
InChIInChI=1S/C14H28N2O3S/c1-20(18,19)16-7-3-5-13(11-16)10-15-9-12-4-2-6-14(17)8-12/h12-15,17H,2-11H2,1H3
InChIKeyVPWVHTVZOPEUJE-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.80
Rot. Bonds5

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

3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106132238) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106132238
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCCC(CNCC2CCCC(O)C2)C1
InChIInChI=1S/C14H28N2O3S/c1-20(18,19)16-7-3-5-13(11-16)10-15-9-12-4-2-6-14(17)8-12/h12-15,17H,2-11H2,1H3
InChIKeyVPWVHTVZOPEUJE-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-[(1,1-dioxothiolan-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 81038476
7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine
CID 107814961
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
2-hydroxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612929
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 106132238) is 3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol is CS(=O)(=O)N1CCCC(CNCC2CCCC(O)C2)C1.
What is the InChIKey of 3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is VPWVHTVZOPEUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-20(18,19)16-7-3-5-13(11-16)10-15-9-12-4-2-6-14(17)8-12/h12-15,17H,2-11H2,1H3.
What are the key properties of 3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol?
3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 304.46 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).