N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride

C14H25ClN2O3S — CID 119983345

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
SMILESCOCc1cccc(S(=O)(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C14H24N2O3S.ClH/c1-11(2)7-13(9-15)16-20(17,18)14-6-4-5-12(8-14)10-19-3;/h4-6,8,11,13,16H,7,9-10,15H2,1-3H3;1H
InChIKeyDDMBFLXTMZKXPR-UHFFFAOYSA-N
MW336.89 g/mol
LogP1.91
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride (PubChem CID 119983345) has the molecular formula C14H25ClN2O3S and a molecular weight of 336.89 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
PubChem CID119983345
Molecular FormulaC14H25ClN2O3S
Molecular Weight336.89 g/mol
Exact Mass336.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
SMILESCOCc1cccc(S(=O)(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C14H24N2O3S.ClH/c1-11(2)7-13(9-15)16-20(17,18)14-6-4-5-12(8-14)10-19-3;/h4-6,8,11,13,16H,7,9-10,15H2,1-3H3;1H
InChIKeyDDMBFLXTMZKXPR-UHFFFAOYSA-N
XLogP1.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
N-(3-aminobutyl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119972673
2-[[3-(methoxymethyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122068021
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119983408
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
methyl (2S)-2-[[3-(methoxymethyl)phenyl]sulfonylamino]-3,3-dimethylbutanoate
CID 95772804
3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119983448
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride (CID 119983345) is N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride is COCc1cccc(S(=O)(=O)NC(CN)CC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride?
The InChIKey is DDMBFLXTMZKXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S.ClH/c1-11(2)7-13(9-15)16-20(17,18)14-6-4-5-12(8-14)10-19-3;/h4-6,8,11,13,16H,7,9-10,15H2,1-3H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride has a molecular weight of 336.89 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).