N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride

C15H25ClN2O5S — CID 119497210

IUPACN-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCC(C)N)cc1OC.Cl
InChIInChI=1S/C15H24N2O5S.ClH/c1-11(16)6-8-17-15(18)7-9-23(19,20)12-4-5-13(21-2)14(10-12)22-3;/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18);1H
InChIKeyKNXQMDROKCEGIX-UHFFFAOYSA-N
MW380.89 g/mol
LogP1.14
Rot. Bonds9

About N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride

N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride (PubChem CID 119497210) has the molecular formula C15H25ClN2O5S and a molecular weight of 380.89 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
PubChem CID119497210
Molecular FormulaC15H25ClN2O5S
Molecular Weight380.89 g/mol
Exact Mass380.12
IUPAC NameN-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCC(C)N)cc1OC.Cl
InChIInChI=1S/C15H24N2O5S.ClH/c1-11(16)6-8-17-15(18)7-9-23(19,20)12-4-5-13(21-2)14(10-12)22-3;/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18);1H
InChIKeyKNXQMDROKCEGIX-UHFFFAOYSA-N
XLogP1.14
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
CID 110424143
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-phenylbutanamide
CID 110607851
(2R)-2-[3-(3,4-dimethoxyphenyl)sulfonylpropanoylamino]-4-methylpentanoic acid
CID 119364738
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633484
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
CID 110356474
N-[3-(aminomethyl)pentan-3-yl]-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119570335
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
CID 110414798

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride (CID 119497210) is N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride is COc1ccc(S(=O)(=O)CCC(=O)NCCC(C)N)cc1OC.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride?
The InChIKey is KNXQMDROKCEGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S.ClH/c1-11(16)6-8-17-15(18)7-9-23(19,20)12-4-5-13(21-2)14(10-12)22-3;/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride?
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride has a molecular weight of 380.89 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride is sourced from PubChem (CID 119497210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).