N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride

C15H27ClN2O2S — CID 119985053

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)NC(C)(CN)CC(C)C)c1.Cl
InChIInChI=1S/C15H26N2O2S.ClH/c1-12(2)9-15(4,11-16)17-20(18,19)10-14-7-5-6-13(3)8-14;/h5-8,12,17H,9-11,16H2,1-4H3;1H
InChIKeyQFMLGCQHEXNSQE-UHFFFAOYSA-N
MW334.91 g/mol
LogP2.60
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride (PubChem CID 119985053) has the molecular formula C15H27ClN2O2S and a molecular weight of 334.91 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
PubChem CID119985053
Molecular FormulaC15H27ClN2O2S
Molecular Weight334.91 g/mol
Exact Mass334.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)NC(C)(CN)CC(C)C)c1.Cl
InChIInChI=1S/C15H26N2O2S.ClH/c1-12(2)9-15(4,11-16)17-20(18,19)10-14-7-5-6-13(3)8-14;/h5-8,12,17H,9-11,16H2,1-4H3;1H
InChIKeyQFMLGCQHEXNSQE-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.91
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
CID 115309921
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 115309924
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride
CID 119985245
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 27210808
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119599005
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride (CID 119985053) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride is Cc1cccc(CS(=O)(=O)NC(C)(CN)CC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The InChIKey is QFMLGCQHEXNSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S.ClH/c1-12(2)9-15(4,11-16)17-20(18,19)10-14-7-5-6-13(3)8-14;/h5-8,12,17H,9-11,16H2,1-4H3;1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride has a molecular weight of 334.91 g/mol, XLogP of 2.60, 7 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)-1-(3-methylphenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119985053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).