4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide

C13H22N2O2S — CID 106330291

IUPAC4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-13(3,6-2)15-18(16,17)12-9-7-11(14-4)8-10-12/h7-10,14-15H,5-6H2,1-4H3
InChIKeyQTVKHKOHOYWYKL-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.59
Rot. Bonds6

About 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide

4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106330291) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106330291
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-13(3,6-2)15-18(16,17)12-9-7-11(14-4)8-10-12/h7-10,14-15H,5-6H2,1-4H3
InChIKeyQTVKHKOHOYWYKL-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 114263610
4-(1-aminoethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330066
4-(cyanomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 103721139
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213
N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
CID 106165353
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331807
N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 61133016
N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806
N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide
CID 63836615
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 106171205

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106330291) is 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1ccc(NC)cc1.
What is the InChIKey of 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is QTVKHKOHOYWYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-13(3,6-2)15-18(16,17)12-9-7-11(14-4)8-10-12/h7-10,14-15H,5-6H2,1-4H3.
What are the key properties of 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106330291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).