N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride

C15H30ClN3O3S — CID 119612379

IUPACN-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2CN)CC1.Cl
InChIInChI=1S/C15H29N3O3S.ClH/c1-2-22(20,21)18-9-7-12(8-10-18)15(19)17-14-6-4-3-5-13(14)11-16;/h12-14H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyZAJKOJVFLQDPSO-UHFFFAOYSA-N
MW367.94 g/mol
LogP1.10
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119612379) has the molecular formula C15H30ClN3O3S and a molecular weight of 367.94 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119612379
Molecular FormulaC15H30ClN3O3S
Molecular Weight367.94 g/mol
Exact Mass367.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2CN)CC1.Cl
InChIInChI=1S/C15H29N3O3S.ClH/c1-2-22(20,21)18-9-7-12(8-10-18)15(19)17-14-6-4-3-5-13(14)11-16;/h12-14H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyZAJKOJVFLQDPSO-UHFFFAOYSA-N
XLogP1.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.94
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 40516825
N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119611127
4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119610286
N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide
CID 119612086
N-[(1R,2R)-2-benzamidocyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 51071678
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95118913
N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451
N-[2-(aminomethyl)cyclohexyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
CID 119610883
N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119601319
N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119612285
N-[1-(aminomethyl)cyclopentyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119568326
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride (CID 119612379) is N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride is CCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2CN)CC1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZAJKOJVFLQDPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S.ClH/c1-2-22(20,21)18-9-7-12(8-10-18)15(19)17-14-6-4-3-5-13(14)11-16;/h12-14H,2-11,16H2,1H3,(H,17,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 367.94 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119612379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).