3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride

C17H26ClN3O3S — CID 119434498

IUPAC3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCCCC2C(C)N)c1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-3-10-19-24(22,23)15-8-6-7-14(12-15)17(21)20-11-5-4-9-16(20)13(2)18;/h3,6-8,12-13,16,19H,1,4-5,9-11,18H2,2H3;1H
InChIKeyWUUQJDUBKRZELF-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.91
Rot. Bonds6

About 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride

3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride (PubChem CID 119434498) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
PubChem CID119434498
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCCCC2C(C)N)c1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-3-10-19-24(22,23)15-8-6-7-14(12-15)17(21)20-11-5-4-9-16(20)13(2)18;/h3,6-8,12-13,16,19H,1,4-5,9-11,18H2,2H3;1H
InChIKeyWUUQJDUBKRZELF-UHFFFAOYSA-N
XLogP1.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
[2-(1-aminoethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone;hydrochloride
CID 119435274
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119436148
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43004682
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
3-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 109062386
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542651
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119542652

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride (CID 119434498) is 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride is C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCCC2C(C)N)c1.Cl.
What is the InChIKey of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride?
The InChIKey is WUUQJDUBKRZELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-3-10-19-24(22,23)15-8-6-7-14(12-15)17(21)20-11-5-4-9-16(20)13(2)18;/h3,6-8,12-13,16,19H,1,4-5,9-11,18H2,2H3;1H.
What are the key properties of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride?
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119434498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).