N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

C15H31N3O2S — CID 106002916

IUPACN-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-14-6-4-5-7-15(14)17-21(19,20)18-10-8-13(9-11-18)12-16-2/h13-17H,3-12H2,1-2H3
InChIKeyJTKZNVCGCUGWPM-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.72
Rot. Bonds6

About N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106002916) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106002916
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-14-6-4-5-7-15(14)17-21(19,20)18-10-8-13(9-11-18)12-16-2/h13-17H,3-12H2,1-2H3
InChIKeyJTKZNVCGCUGWPM-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylcyclohexyl)azepane-1-sulfonamide
CID 47030327
4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide
CID 106072866
N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106067908
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073030
1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
CID 106359363
N-(3,3-dimethylcyclopentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 114552127
N-[2-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide;hydrochloride
CID 119986003
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 114179805

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106002916) is N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CCC1CCCCC1NS(=O)(=O)N1CCC(CNC)CC1.
What is the InChIKey of N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is JTKZNVCGCUGWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-14-6-4-5-7-15(14)17-21(19,20)18-10-8-13(9-11-18)12-16-2/h13-17H,3-12H2,1-2H3.
What are the key properties of N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106002916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).