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

C16H26ClN3O3S — CID 119520283

IUPACN-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-23(21,22)18-15-7-5-4-6-14(15)16(20)19-10-8-13(9-11-19)12(2)17;/h4-7,12-13,18H,3,8-11,17H2,1-2H3;1H
InChIKeySDRHQFIQEOUKNR-UHFFFAOYSA-N
MW375.92 g/mol
LogP2.07
Rot. Bonds5

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

N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride (PubChem CID 119520283) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
PubChem CID119520283
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-23(21,22)18-15-7-5-4-6-14(15)16(20)19-10-8-13(9-11-19)12(2)17;/h4-7,12-13,18H,3,8-11,17H2,1-2H3;1H
InChIKeySDRHQFIQEOUKNR-UHFFFAOYSA-N
XLogP2.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119516967
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
CID 119517512
N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 51096518
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119398279
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-(difluoromethylsulfanyl)phenyl]methanone
CID 166307242
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 119516715
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
[4-(1-aminoethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone;hydrochloride
CID 119520428

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride (CID 119520283) is N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(C(C)N)CC1.Cl.
What is the InChIKey of N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride?
The InChIKey is SDRHQFIQEOUKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-3-23(21,22)18-15-7-5-4-6-14(15)16(20)19-10-8-13(9-11-19)12(2)17;/h4-7,12-13,18H,3,8-11,17H2,1-2H3;1H.
What are the key properties of N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride?
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 119520283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).