4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride

C18H30ClN3O3S — CID 119377266

IUPAC4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-3-11-21(12-4-2)25(23,24)17-9-7-15(8-10-17)18(22)20-13-5-6-16(19)14-20;/h7-10,16H,3-6,11-14,19H2,1-2H3;1H
InChIKeyLXGPQFJKBYMIOT-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.48
Rot. Bonds7

About 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride

4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride (PubChem CID 119377266) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
PubChem CID119377266
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC Name4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-3-11-21(12-4-2)25(23,24)17-9-7-15(8-10-17)18(22)20-13-5-6-16(19)14-20;/h7-10,16H,3-6,11-14,19H2,1-2H3;1H
InChIKeyLXGPQFJKBYMIOT-UHFFFAOYSA-N
XLogP2.48
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
CID 109061524
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119592837
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119631027
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 119411111
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119380856
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
(3-aminopiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119377173
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride (CID 119377266) is 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride?
The InChIKey is LXGPQFJKBYMIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-3-11-21(12-4-2)25(23,24)17-9-7-15(8-10-17)18(22)20-13-5-6-16(19)14-20;/h7-10,16H,3-6,11-14,19H2,1-2H3;1H.
What are the key properties of 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride?
4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119377266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).