N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride

C10H25ClN2O2S — CID 119972475

IUPACN-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCC(CC)CS(=O)(=O)NCCC(C)N.Cl
InChIInChI=1S/C10H24N2O2S.ClH/c1-4-10(5-2)8-15(13,14)12-7-6-9(3)11;/h9-10,12H,4-8,11H2,1-3H3;1H
InChIKeyRZPRNDACUNZWDO-UHFFFAOYSA-N
MW272.84 g/mol
LogP1.50
Rot. Bonds8

About N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride

N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride (PubChem CID 119972475) has the molecular formula C10H25ClN2O2S and a molecular weight of 272.84 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
PubChem CID119972475
Molecular FormulaC10H25ClN2O2S
Molecular Weight272.84 g/mol
Exact Mass272.13
IUPAC NameN-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCC(CC)CS(=O)(=O)NCCC(C)N.Cl
InChIInChI=1S/C10H24N2O2S.ClH/c1-4-10(5-2)8-15(13,14)12-7-6-9(3)11;/h9-10,12H,4-8,11H2,1-3H3;1H
InChIKeyRZPRNDACUNZWDO-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride (CID 119972475) is N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride is CCC(CC)CS(=O)(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The InChIKey is RZPRNDACUNZWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S.ClH/c1-4-10(5-2)8-15(13,14)12-7-6-9(3)11;/h9-10,12H,4-8,11H2,1-3H3;1H.
What are the key properties of N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride has a molecular weight of 272.84 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119972475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).