N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride

C14H25ClN2O4S — CID 119981154

IUPACN-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C14H24N2O4S.ClH/c1-5-14(6-2,10-15)16-21(17,18)11-7-8-12(19-3)13(9-11)20-4;/h7-9,16H,5-6,10,15H2,1-4H3;1H
InChIKeyUNRUIBKAPASSBC-UHFFFAOYSA-N
MW352.88 g/mol
LogP1.92
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride (PubChem CID 119981154) has the molecular formula C14H25ClN2O4S and a molecular weight of 352.88 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
PubChem CID119981154
Molecular FormulaC14H25ClN2O4S
Molecular Weight352.88 g/mol
Exact Mass352.12
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C14H24N2O4S.ClH/c1-5-14(6-2,10-15)16-21(17,18)11-7-8-12(19-3)13(9-11)20-4;/h7-9,16H,5-6,10,15H2,1-4H3;1H
InChIKeyUNRUIBKAPASSBC-UHFFFAOYSA-N
XLogP1.92
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 63888398
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-5-nitrobenzenesulfonamide;hydrochloride
CID 119981158
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119981156
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 120710335
N-[3-(aminomethyl)pentan-3-yl]-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119570335
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119981274

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride (CID 119981154) is N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride?
The InChIKey is UNRUIBKAPASSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S.ClH/c1-5-14(6-2,10-15)16-21(17,18)11-7-8-12(19-3)13(9-11)20-4;/h7-9,16H,5-6,10,15H2,1-4H3;1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride has a molecular weight of 352.88 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119981154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).