N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide

C13H22N2O2S — CID 115310726

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-10(2)13(4,9-14)15-18(16,17)12-7-5-11(3)6-8-12/h5-8,10,15H,9,14H2,1-4H3
InChIKeyFVNIZZYGCLYGSF-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.65
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 115310726) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
PubChem CID115310726
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-10(2)13(4,9-14)15-18(16,17)12-7-5-11(3)6-8-12/h5-8,10,15H,9,14H2,1-4H3
InChIKeyFVNIZZYGCLYGSF-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
CID 115310585
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
CID 114614909
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115310721
N-(1-amino-2,3-dimethylbutan-2-yl)-4-fluoro-3-nitrobenzenesulfonamide
CID 115310593
N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
CID 113284014
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 115310619
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3,4-trifluorobenzenesulfonamide
CID 115310595
2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65378377

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide (CID 115310726) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(CN)C(C)C)cc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is FVNIZZYGCLYGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)13(4,9-14)15-18(16,17)12-7-5-11(3)6-8-12/h5-8,10,15H,9,14H2,1-4H3.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 115310726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).