N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride

C11H27ClN2O2S — CID 119993260

IUPACN-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)CC(C)CC.Cl
InChIInChI=1S/C11H26N2O2S.ClH/c1-4-6-7-11(8-12)13-16(14,15)9-10(3)5-2;/h10-11,13H,4-9,12H2,1-3H3;1H
InChIKeyNRKREOFOXKJXQZ-UHFFFAOYSA-N
MW286.87 g/mol
LogP1.89
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride (PubChem CID 119993260) has the molecular formula C11H27ClN2O2S and a molecular weight of 286.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride
PubChem CID119993260
Molecular FormulaC11H27ClN2O2S
Molecular Weight286.87 g/mol
Exact Mass286.15
IUPAC NameN-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)CC(C)CC.Cl
InChIInChI=1S/C11H26N2O2S.ClH/c1-4-6-7-11(8-12)13-16(14,15)9-10(3)5-2;/h10-11,13H,4-9,12H2,1-3H3;1H
InChIKeyNRKREOFOXKJXQZ-UHFFFAOYSA-N
XLogP1.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride (CID 119993260) is N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)CC(C)CC.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride?
The InChIKey is NRKREOFOXKJXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S.ClH/c1-4-6-7-11(8-12)13-16(14,15)9-10(3)5-2;/h10-11,13H,4-9,12H2,1-3H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119993260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).