N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride

C14H22ClN3O3S — CID 119376284

IUPACN-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-2-21(19,20)16-13-6-4-3-5-12(13)14(18)17-9-7-11(15)8-10-17;/h3-6,11,16H,2,7-10,15H2,1H3;1H
InChIKeyNAGMITBAJZKVBD-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.43
Rot. Bonds4

About N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride

N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride (PubChem CID 119376284) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
PubChem CID119376284
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-2-21(19,20)16-13-6-4-3-5-12(13)14(18)17-9-7-11(15)8-10-17;/h3-6,11,16H,2,7-10,15H2,1H3;1H
InChIKeyNAGMITBAJZKVBD-UHFFFAOYSA-N
XLogP1.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
CID 119520283
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 51096518
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 119375343
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119516967
N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119398279
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
(2-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243173
4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid
CID 120528098
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 120748480

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride (CID 119376284) is N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride?
The InChIKey is NAGMITBAJZKVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-2-21(19,20)16-13-6-4-3-5-12(13)14(18)17-9-7-11(15)8-10-17;/h3-6,11,16H,2,7-10,15H2,1H3;1H.
What are the key properties of N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride?
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 119376284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).