N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride

C10H25ClN2O2S — CID 119982739

IUPACN-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride
SMILESCCCC(C)CS(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C10H24N2O2S.ClH/c1-5-6-9(2)8-15(13,14)12(4)10(3)7-11;/h9-10H,5-8,11H2,1-4H3;1H
InChIKeyMYZOEBRQGMZDIF-UHFFFAOYSA-N
MW272.84 g/mol
LogP1.45
Rot. Bonds7

About N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride (PubChem CID 119982739) has the molecular formula C10H25ClN2O2S and a molecular weight of 272.84 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride
PubChem CID119982739
Molecular FormulaC10H25ClN2O2S
Molecular Weight272.84 g/mol
Exact Mass272.13
IUPAC NameN-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride
SMILESCCCC(C)CS(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C10H24N2O2S.ClH/c1-5-6-9(2)8-15(13,14)12(4)10(3)7-11;/h9-10H,5-8,11H2,1-4H3;1H
InChIKeyMYZOEBRQGMZDIF-UHFFFAOYSA-N
XLogP1.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride (CID 119982739) is N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride is CCCC(C)CS(=O)(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride?
The InChIKey is MYZOEBRQGMZDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S.ClH/c1-5-6-9(2)8-15(13,14)12(4)10(3)7-11;/h9-10H,5-8,11H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride has a molecular weight of 272.84 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119982739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).