N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide

C15H19ClN4O3S — CID 119971059

IUPACN-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide
SMILESN#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H19ClN4O3S/c16-13-4-1-5-14(12(13)9-18)24(22,23)20-8-2-3-11(10-20)15(21)19-7-6-17/h1,4-5,11H,2-3,6-8,10,17H2,(H,19,21)
InChIKeyQNPRGHOAVKNXRB-UHFFFAOYSA-N
MW370.86 g/mol
LogP0.69
Rot. Bonds5

About N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide

N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 119971059) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID119971059
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC NameN-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide
SMILESN#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H19ClN4O3S/c16-13-4-1-5-14(12(13)9-18)24(22,23)20-8-2-3-11(10-20)15(21)19-7-6-17/h1,4-5,11H,2-3,6-8,10,17H2,(H,19,21)
InChIKeyQNPRGHOAVKNXRB-UHFFFAOYSA-N
XLogP0.69
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 119971159
N-(2-aminoethyl)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971084
N-(2-aminoethyl)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971498
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971282
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971281
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride
CID 119958960
N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
CID 114810707
N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971495

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide (CID 119971059) is N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide is N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is QNPRGHOAVKNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c16-13-4-1-5-14(12(13)9-18)24(22,23)20-8-2-3-11(10-20)15(21)19-7-6-17/h1,4-5,11H,2-3,6-8,10,17H2,(H,19,21).
What are the key properties of N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide?
N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 370.86 g/mol, XLogP of 0.69, 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-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 119971059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).