N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C13H20N4O3S — CID 63253265

IUPACN-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C13H20N4O3S/c14-5-7-16-13(18)11-3-2-8-17(10-11)21(19,20)12-4-1-6-15-9-12/h1,4,6,9,11H,2-3,5,7-8,10,14H2,(H,16,18)
InChIKeyPYJFTLGLTLUTDQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.44
Rot. Bonds5

About N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 63253265) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID63253265
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC NameN-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C13H20N4O3S/c14-5-7-16-13(18)11-3-2-8-17(10-11)21(19,20)12-4-1-6-15-9-12/h1,4,6,9,11H,2-3,5,7-8,10,14H2,(H,16,18)
InChIKeyPYJFTLGLTLUTDQ-UHFFFAOYSA-N
XLogP-0.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 122175043
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 119971426
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 119971159
N-(2-aminoethyl)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxamide
CID 104710243
N-(2-aminoethyl)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971084
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide
CID 119971209
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 63253265) is N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is NCCNC(=O)C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is PYJFTLGLTLUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c14-5-7-16-13(18)11-3-2-8-17(10-11)21(19,20)12-4-1-6-15-9-12/h1,4,6,9,11H,2-3,5,7-8,10,14H2,(H,16,18).
What are the key properties of N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 63253265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).