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

C12H24N2O3S — CID 103775409

IUPAC4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCC(NC2CCC(O)CC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-8-6-11(7-9-14)13-10-2-4-12(15)5-3-10/h10-13,15H,2-9H2,1H3
InChIKeyLAVYJAXOJRXBNI-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.30
Rot. Bonds3

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

4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 103775409) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
PubChem CID103775409
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCC(NC2CCC(O)CC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-8-6-11(7-9-14)13-10-2-4-12(15)5-3-10/h10-13,15H,2-9H2,1H3
InChIKeyLAVYJAXOJRXBNI-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

4-hydroxy-N-piperidin-4-ylcyclohexane-1-sulfinamide
CID 166689060
(4-Piperazin-1-ylcyclohexyl) methanesulfonate
CID 170161612
N-(4-hydroxycyclohexyl)piperidine-3-sulfonamide
CID 24695197
N-(4-hydroxycyclohexyl)piperazine-1-sulfonamide
CID 28775836
N-(4-hydroxycyclohexyl)piperidine-1-sulfonamide
CID 43416759
N-(4-hydroxycyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 43417197
N-(4-hydroxycyclohexyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43417198
N-(4-hydroxycyclohexyl)-2-methylpiperidine-1-sulfonamide
CID 43419370
N-(4-hydroxycyclohexyl)-3-methylpiperidine-1-sulfonamide
CID 43419373
1-(Dipropylsulfamoylamino)-4-hydroxycyclohexane
CID 43427812
1-(4-Hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 51083471
N-(4-hydroxycyclohexyl)-4-(methanesulfonamido)piperidine-1-carboxamide
CID 53505467

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol (CID 103775409) is 4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol is CS(=O)(=O)N1CCC(NC2CCC(O)CC2)CC1.
What is the InChIKey of 4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is LAVYJAXOJRXBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(16,17)14-8-6-11(7-9-14)13-10-2-4-12(15)5-3-10/h10-13,15H,2-9H2,1H3.
What are the key properties of 4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol?
4-[(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 4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 103775409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).