N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride

C13H31ClN2O2S — CID 119985236

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride
SMILESCCCC(C)CS(=O)(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C13H30N2O2S.ClH/c1-6-7-12(4)9-18(16,17)15-13(5,10-14)8-11(2)3;/h11-12,15H,6-10,14H2,1-5H3;1H
InChIKeyQBWGRYDTVUSCQI-UHFFFAOYSA-N
MW314.92 g/mol
LogP2.53
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride (PubChem CID 119985236) has the molecular formula C13H31ClN2O2S and a molecular weight of 314.92 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride
PubChem CID119985236
Molecular FormulaC13H31ClN2O2S
Molecular Weight314.92 g/mol
Exact Mass314.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride
SMILESCCCC(C)CS(=O)(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C13H30N2O2S.ClH/c1-6-7-12(4)9-18(16,17)15-13(5,10-14)8-11(2)3;/h11-12,15H,6-10,14H2,1-5H3;1H
InChIKeyQBWGRYDTVUSCQI-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.92
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride (CID 119985236) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride is CCCC(C)CS(=O)(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride?
The InChIKey is QBWGRYDTVUSCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S.ClH/c1-6-7-12(4)9-18(16,17)15-13(5,10-14)8-11(2)3;/h11-12,15H,6-10,14H2,1-5H3;1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride has a molecular weight of 314.92 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119985236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).