N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide

C14H28N2O2S — CID 60892687

IUPACN-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-12-2-4-14(5-3-12)16-19(17,18)11-8-13-6-9-15-10-7-13/h12-16H,2-11H2,1H3
InChIKeyZQMOBDJWLWCKPQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.87
Rot. Bonds5

About N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide

N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 60892687) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
PubChem CID60892687
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-12-2-4-14(5-3-12)16-19(17,18)11-8-13-6-9-15-10-7-13/h12-16H,2-11H2,1H3
InChIKeyZQMOBDJWLWCKPQ-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide
CID 112746927
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627
N-methyl-2-[(4-methylcyclohexyl)sulfamoyl]-N-piperidin-4-ylacetamide;hydrochloride
CID 119444541
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
2-(cyclopropylamino)-N-(4-propylcyclohexyl)ethanesulfonamide
CID 106054472
2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide
CID 115049262
ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
CID 144690216
N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 68898541
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
2-(2-piperidin-4-ylethylsulfonylamino)propanamide
CID 60893069
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide (CID 60892687) is N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide is CC1CCC(NS(=O)(=O)CCC2CCNCC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is ZQMOBDJWLWCKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12-2-4-14(5-3-12)16-19(17,18)11-8-13-6-9-15-10-7-13/h12-16H,2-11H2,1H3.
What are the key properties of N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide?
N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 288.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 60892687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).