3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol

C12H24N2O3S — CID 113260472

IUPAC3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCC(NC2CCCC(O)C2)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-7-5-10(6-8-14)13-11-3-2-4-12(15)9-11/h10-13,15H,2-9H2,1H3
InChIKeyPCKCVYUERZRCRX-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.30
Rot. Bonds3

About 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol

3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 113260472) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
PubChem CID113260472
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCC(NC2CCCC(O)C2)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-7-5-10(6-8-14)13-11-3-2-4-12(15)9-11/h10-13,15H,2-9H2,1H3
InChIKeyPCKCVYUERZRCRX-UHFFFAOYSA-N
XLogP0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-Methylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751162
3-[(1-Propan-2-ylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751166
3-[(1-Ethylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751168
3-[(1-Propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
5-[(1-Methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 55053149
2-[(1-Methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 60885676
N-(3-hydroxycyclohexyl)piperazine-1-sulfonamide
CID 61252359
N-ethyl-N-[3-[(3-methoxycyclohexyl)amino]propyl]methanesulfonamide
CID 64092758
N-(3-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine
CID 64093157
3-(4-Methylsulfonylpiperazin-1-yl)cyclohexan-1-ol
CID 79618785
3-[(1,2-Dimethylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 81328061
4-[(1-Methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 103775409

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol (CID 113260472) is 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol is CS(=O)(=O)N1CCC(NC2CCCC(O)C2)CC1.
What is the InChIKey of 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is PCKCVYUERZRCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(16,17)14-7-5-10(6-8-14)13-11-3-2-4-12(15)9-11/h10-13,15H,2-9H2,1H3.
What are the key properties of 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 276.40 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 113260472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).