4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide

C15H26N2O2S — CID 106331807

IUPAC4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C15H26N2O2S/c1-6-15(4,7-2)17-20(18,19)14-9-8-12(3)13(10-14)11-16-5/h8-10,16-17H,6-7,11H2,1-5H3
InChIKeyVRXTWHDGROSXAU-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.57
Rot. Bonds7

About 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide

4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106331807) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106331807
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C15H26N2O2S/c1-6-15(4,7-2)17-20(18,19)14-9-8-12(3)13(10-14)11-16-5/h8-10,16-17H,6-7,11H2,1-5H3
InChIKeyVRXTWHDGROSXAU-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058312
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 64549704
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291
4-ethoxy-3-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031601
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
2-methyl-4-(3-methylpentan-3-ylsulfamoyl)benzenecarbothioamide
CID 106329096
3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 114263610
3-chloro-4-(hydroxymethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331656
3-(aminomethyl)-4-ethoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331682

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106331807) is 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1ccc(C)c(CNC)c1.
What is the InChIKey of 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is VRXTWHDGROSXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-6-15(4,7-2)17-20(18,19)14-9-8-12(3)13(10-14)11-16-5/h8-10,16-17H,6-7,11H2,1-5H3.
What are the key properties of 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide?
4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106331807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).