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

C10H19ClN2O3S2 — CID 86780765

IUPACN-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
SMILESCCCC(N)CNS(=O)(=O)c1sccc1OC.Cl
InChIInChI=1S/C10H18N2O3S2.ClH/c1-3-4-8(11)7-12-17(13,14)10-9(15-2)5-6-16-10;/h5-6,8,12H,3-4,7,11H2,1-2H3;1H
InChIKeyQQNUHRDIGMCSIL-UHFFFAOYSA-N
MW314.86 g/mol
LogP1.58
Rot. Bonds7

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

N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride (PubChem CID 86780765) has the molecular formula C10H19ClN2O3S2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
PubChem CID86780765
Molecular FormulaC10H19ClN2O3S2
Molecular Weight314.86 g/mol
Exact Mass314.05
IUPAC NameN-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
SMILESCCCC(N)CNS(=O)(=O)c1sccc1OC.Cl
InChIInChI=1S/C10H18N2O3S2.ClH/c1-3-4-8(11)7-12-17(13,14)10-9(15-2)5-6-16-10;/h5-6,8,12H,3-4,7,11H2,1-2H3;1H
InChIKeyQQNUHRDIGMCSIL-UHFFFAOYSA-N
XLogP1.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride (CID 86780765) is N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride is CCCC(N)CNS(=O)(=O)c1sccc1OC.Cl.
What is the InChIKey of N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
The InChIKey is QQNUHRDIGMCSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2.ClH/c1-3-4-8(11)7-12-17(13,14)10-9(15-2)5-6-16-10;/h5-6,8,12H,3-4,7,11H2,1-2H3;1H.
What are the key properties of N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 86780765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).