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

C13H27N3O3S — CID 63857526

IUPACN-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
SMILESCC(C)CCS(=O)(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C13H27N3O3S/c1-11(2)5-9-20(18,19)16-8-3-4-12(10-16)13(17)15-7-6-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyHBKFGEPEBLSHCX-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.15
Rot. Bonds7

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

N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide (PubChem CID 63857526) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
PubChem CID63857526
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
SMILESCC(C)CCS(=O)(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C13H27N3O3S/c1-11(2)5-9-20(18,19)16-8-3-4-12(10-16)13(17)15-7-6-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyHBKFGEPEBLSHCX-UHFFFAOYSA-N
XLogP0.15
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090
N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
CID 114810707
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
methyl (3S)-1-(3-methylbutylsulfonyl)piperidine-3-carboxylate
CID 79032932
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
N-(2-aminoethyl)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
CID 119971062

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide (CID 63857526) is N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide is CC(C)CCS(=O)(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide?
The InChIKey is HBKFGEPEBLSHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-11(2)5-9-20(18,19)16-8-3-4-12(10-16)13(17)15-7-6-14/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.15, 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-(3-methylbutylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 63857526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).