2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol

C12H24N2O3S — CID 60885676

IUPAC2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-8-6-10(7-9-14)13-11-4-2-3-5-12(11)15/h10-13,15H,2-9H2,1H3
InChIKeyBINXECBDWFTNTP-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.30
Rot. Bonds3

About 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol

2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 60885676) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
PubChem CID60885676
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-8-6-10(7-9-14)13-11-4-2-3-5-12(11)15/h10-13,15H,2-9H2,1H3
InChIKeyBINXECBDWFTNTP-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

N-[(4R)-3-hydroxypiperidin-4-yl]methanesulfonamide
CID 60044776
Ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol
CID 144576026
N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide
CID 155602876
N-(2-hydroxy-3-morpholin-4-ylcyclohexyl)methanesulfonamide
CID 155602898
4-hydroxy-N-piperidin-4-ylcyclohexane-1-sulfinamide
CID 166689060
N-(3-hydroxypiperidin-4-yl)methanesulfonamide
CID 23401053
N-(4-hydroxycyclohexyl)piperidine-3-sulfonamide
CID 24695197
1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 43628910
1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine
CID 43771747
N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine
CID 43778786
N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine
CID 43791489
N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide
CID 54903060

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol (CID 60885676) is 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol is CS(=O)(=O)N1CCC(NC2CCCCC2O)CC1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is BINXECBDWFTNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(16,17)14-8-6-10(7-9-14)13-11-4-2-3-5-12(11)15/h10-13,15H,2-9H2,1H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
2-[(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 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 60885676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).