N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride

C13H27ClN4O3S — CID 119971062

IUPACN-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
SMILESCN(CC1CC1)S(=O)(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C13H26N4O3S.ClH/c1-16(9-11-4-5-11)21(19,20)17-8-2-3-12(10-17)13(18)15-7-6-14;/h11-12H,2-10,14H2,1H3,(H,15,18);1H
InChIKeyNEWBKTOPCGLVGS-UHFFFAOYSA-N
MW354.90 g/mol
LogP-0.22
Rot. Bonds7

About N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119971062) has the molecular formula C13H27ClN4O3S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119971062
Molecular FormulaC13H27ClN4O3S
Molecular Weight354.90 g/mol
Exact Mass354.15
IUPAC NameN-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
SMILESCN(CC1CC1)S(=O)(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C13H26N4O3S.ClH/c1-16(9-11-4-5-11)21(19,20)17-8-2-3-12(10-17)13(18)15-7-6-14;/h11-12H,2-10,14H2,1H3,(H,15,18);1H
InChIKeyNEWBKTOPCGLVGS-UHFFFAOYSA-N
XLogP-0.22
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
CID 119971399
N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
CID 114810707
methyl 4-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119971268
N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
CID 63857526
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971281
N-(2-aminoethyl)-1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 119971336

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride (CID 119971062) is N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride is CN(CC1CC1)S(=O)(=O)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NEWBKTOPCGLVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S.ClH/c1-16(9-11-4-5-11)21(19,20)17-8-2-3-12(10-17)13(18)15-7-6-14;/h11-12H,2-10,14H2,1H3,(H,15,18);1H.
What are the key properties of N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119971062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).