N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride

C9H17ClN2O3S2 — CID 119972633

IUPACN-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NCCC(C)N.Cl
InChIInChI=1S/C9H16N2O3S2.ClH/c1-7(10)3-5-11-16(12,13)9-8(14-2)4-6-15-9;/h4,6-7,11H,3,5,10H2,1-2H3;1H
InChIKeyMLGWPUVDCOGYRA-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.19
Rot. Bonds6

About N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride

N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride (PubChem CID 119972633) has the molecular formula C9H17ClN2O3S2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
PubChem CID119972633
Molecular FormulaC9H17ClN2O3S2
Molecular Weight300.83 g/mol
Exact Mass300.04
IUPAC NameN-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NCCC(C)N.Cl
InChIInChI=1S/C9H16N2O3S2.ClH/c1-7(10)3-5-11-16(12,13)9-8(14-2)4-6-15-9;/h4,6-7,11H,3,5,10H2,1-2H3;1H
InChIKeyMLGWPUVDCOGYRA-UHFFFAOYSA-N
XLogP1.19
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 86780765
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119976009
3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 119964955
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
N-(1-amino-4-methylpentan-2-yl)-3-methoxythiophene-2-sulfonamide
CID 119983311
N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide
CID 126830217
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
2-[[(3-methoxythiophen-2-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660505
N-(3-aminobutyl)-4-bromo-2,5-dimethoxybenzenesulfonamide;hydrochloride
CID 120708603
N-(3-aminobutyl)-5-bromo-2,4-dimethoxybenzenesulfonamide
CID 119972818
N-(3-aminobutyl)-5-chloro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120708555
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride (CID 119972633) is N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride is COc1ccsc1S(=O)(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
The InChIKey is MLGWPUVDCOGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2.ClH/c1-7(10)3-5-11-16(12,13)9-8(14-2)4-6-15-9;/h4,6-7,11H,3,5,10H2,1-2H3;1H.
What are the key properties of N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119972633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).