4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride

C20H34ClN3O3S — CID 119592837

IUPAC4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC(C(C)N)C2)cc1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-4-12-23(13-5-2)27(25,26)19-10-8-17(9-11-19)20(24)22-14-6-7-18(15-22)16(3)21;/h8-11,16,18H,4-7,12-15,21H2,1-3H3;1H
InChIKeyQBZOXGSBMYENHK-UHFFFAOYSA-N
MW432.03 g/mol
LogP3.12
Rot. Bonds8

About 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride (PubChem CID 119592837) has the molecular formula C20H34ClN3O3S and a molecular weight of 432.03 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
PubChem CID119592837
Molecular FormulaC20H34ClN3O3S
Molecular Weight432.03 g/mol
Exact Mass431.20
IUPAC Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC(C(C)N)C2)cc1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-4-12-23(13-5-2)27(25,26)19-10-8-17(9-11-19)20(24)22-14-6-7-18(15-22)16(3)21;/h8-11,16,18H,4-7,12-15,21H2,1-3H3;1H
InChIKeyQBZOXGSBMYENHK-UHFFFAOYSA-N
XLogP3.12
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.03
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266
4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
CID 109061524
[3-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119595101
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119631027
[3-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 119594454
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119593799
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide
CID 119595265
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119594746
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
[3-(1-aminoethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119596081

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride (CID 119592837) is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC(C(C)N)C2)cc1.Cl.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride?
The InChIKey is QBZOXGSBMYENHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S.ClH/c1-4-12-23(13-5-2)27(25,26)19-10-8-17(9-11-19)20(24)22-14-6-7-18(15-22)16(3)21;/h8-11,16,18H,4-7,12-15,21H2,1-3H3;1H.
What are the key properties of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride?
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride has a molecular weight of 432.03 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119592837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).