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

C12H27ClN4O4S — CID 119971399

IUPACN-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
SMILESCOCCN(C)S(=O)(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C12H26N4O4S.ClH/c1-15(8-9-20-2)21(18,19)16-7-3-4-11(10-16)12(17)14-6-5-13;/h11H,3-10,13H2,1-2H3,(H,14,17);1H
InChIKeyUGRBWRQEUSSZJO-UHFFFAOYSA-N
MW358.89 g/mol
LogP-0.98
Rot. Bonds8

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

N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119971399) has the molecular formula C12H27ClN4O4S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119971399
Molecular FormulaC12H27ClN4O4S
Molecular Weight358.89 g/mol
Exact Mass358.14
IUPAC NameN-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
SMILESCOCCN(C)S(=O)(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C12H26N4O4S.ClH/c1-15(8-9-20-2)21(18,19)16-7-3-4-11(10-16)12(17)14-6-5-13;/h11H,3-10,13H2,1-2H3,(H,14,17);1H
InChIKeyUGRBWRQEUSSZJO-UHFFFAOYSA-N
XLogP-0.98
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
CID 119971062
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
CID 114810707
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
CID 63857526
N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971164
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-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride (CID 119971399) is N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride is COCCN(C)S(=O)(=O)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is UGRBWRQEUSSZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O4S.ClH/c1-15(8-9-20-2)21(18,19)16-7-3-4-11(10-16)12(17)14-6-5-13;/h11H,3-10,13H2,1-2H3,(H,14,17);1H.
What are the key properties of N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 358.89 g/mol, XLogP of -0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119971399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).