2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 106030057

IUPAC2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C14H24N2O2S/c1-10(2)12(4)16-19(17,18)14-8-6-7-13(9-15-5)11(14)3/h6-8,10,12,15-16H,9H2,1-5H3
InChIKeyYTZALVVUUYYVOA-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.04
Rot. Bonds6

About 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide

2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106030057) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID106030057
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C14H24N2O2S/c1-10(2)12(4)16-19(17,18)14-8-6-7-13(9-15-5)11(14)3/h6-8,10,12,15-16H,9H2,1-5H3
InChIKeyYTZALVVUUYYVOA-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084684
2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 106017053
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106061777
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075836
N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988698
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031858
2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065542
2-methyl-3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063193
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide
CID 106052029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 106030057) is 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NC(C)C(C)C)c1C.
What is the InChIKey of 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is YTZALVVUUYYVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10(2)12(4)16-19(17,18)14-8-6-7-13(9-15-5)11(14)3/h6-8,10,12,15-16H,9H2,1-5H3.
What are the key properties of 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106030057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).