5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride

C18H28ClN3O4S — CID 119519103

IUPAC5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCC(C(C)N)CC2)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-12(19)13-7-9-21(10-8-13)18(22)14-3-6-16(25-2)17(11-14)26(23,24)20-15-4-5-15;/h3,6,11-13,15,20H,4-5,7-10,19H2,1-2H3;1H
InChIKeySGDIJBMEGRISEV-UHFFFAOYSA-N
MW417.96 g/mol
LogP1.76
Rot. Bonds6

About 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride

5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119519103) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID119519103
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC Name5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCC(C(C)N)CC2)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-12(19)13-7-9-21(10-8-13)18(22)14-3-6-16(25-2)17(11-14)26(23,24)20-15-4-5-15;/h3,6,11-13,15,20H,4-5,7-10,19H2,1-2H3;1H
InChIKeySGDIJBMEGRISEV-UHFFFAOYSA-N
XLogP1.76
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride with MolForge

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Related Compounds

N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55813040
5-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 55716174
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119543842
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 17439024
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride
CID 119520804
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 119594892
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride (CID 119519103) is 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride is COc1ccc(C(=O)N2CCC(C(C)N)CC2)cc1S(=O)(=O)NC1CC1.Cl.
What is the InChIKey of 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is SGDIJBMEGRISEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S.ClH/c1-12(19)13-7-9-21(10-8-13)18(22)14-3-6-16(25-2)17(11-14)26(23,24)20-15-4-5-15;/h3,6,11-13,15,20H,4-5,7-10,19H2,1-2H3;1H.
What are the key properties of 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride?
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119519103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).