2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride

C13H28ClN3O2S — CID 119969104

IUPAC2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-15(12-7-3-2-4-8-12)19(17,18)16-10-6-5-9-13(16)11-14;/h12-13H,2-11,14H2,1H3;1H
InChIKeyFMORSCIEPVMTKC-UHFFFAOYSA-N
MW325.91 g/mol
LogP1.73
Rot. Bonds4

About 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride

2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride (PubChem CID 119969104) has the molecular formula C13H28ClN3O2S and a molecular weight of 325.91 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride
PubChem CID119969104
Molecular FormulaC13H28ClN3O2S
Molecular Weight325.91 g/mol
Exact Mass325.16
IUPAC Name2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-15(12-7-3-2-4-8-12)19(17,18)16-10-6-5-9-13(16)11-14;/h12-13H,2-11,14H2,1H3;1H
InChIKeyFMORSCIEPVMTKC-UHFFFAOYSA-N
XLogP1.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
CID 82745526
N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61408756
N-cyclohexyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128926642
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168
3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971798
(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
CID 100633794
N-cyclohexyl-2-cyclopentyl-N-methylpyrrolidine-1-sulfonamide
CID 71889779
(4aS,8aR)-N-cycloheptyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 100901387
[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759
(1-cyclohexylsulfonylpyrrolidin-2-yl)methanamine
CID 63765247
N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 79121076
[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride (CID 119969104) is 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride is CN(C1CCCCC1)S(=O)(=O)N1CCCCC1CN.Cl.
What is the InChIKey of 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride?
The InChIKey is FMORSCIEPVMTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S.ClH/c1-15(12-7-3-2-4-8-12)19(17,18)16-10-6-5-9-13(16)11-14;/h12-13H,2-11,14H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride?
2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride has a molecular weight of 325.91 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119969104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).