N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide

C9H20N4O3S — CID 114810707

IUPACN-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
SMILESCNS(=O)(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C9H20N4O3S/c1-11-17(15,16)13-6-2-3-8(7-13)9(14)12-5-4-10/h8,11H,2-7,10H2,1H3,(H,12,14)
InChIKeyIDTWBCJMUQUADI-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.76
Rot. Bonds5

About N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide (PubChem CID 114810707) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
PubChem CID114810707
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC NameN-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
SMILESCNS(=O)(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C9H20N4O3S/c1-11-17(15,16)13-6-2-3-8(7-13)9(14)12-5-4-10/h8,11H,2-7,10H2,1H3,(H,12,14)
InChIKeyIDTWBCJMUQUADI-UHFFFAOYSA-N
XLogP-1.76
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
CID 63857526
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-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
CID 119971062
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090
N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971164
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 119971159
N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
CID 119971399
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
N-(2-aminoethyl)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxamide
CID 104710243
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971282
N-(2-aminoethyl)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971084

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide (CID 114810707) is N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide is CNS(=O)(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is IDTWBCJMUQUADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-11-17(15,16)13-6-2-3-8(7-13)9(14)12-5-4-10/h8,11H,2-7,10H2,1H3,(H,12,14).
What are the key properties of N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of -1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 114810707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).