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

C13H22N2O2S — CID 60823404

IUPAC4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-10(2)11(3)15-18(16,17)13-7-5-12(6-8-13)9-14-4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyLDLDCDRZBUAELV-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.73
Rot. Bonds6

About 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide

4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 60823404) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID60823404
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-10(2)11(3)15-18(16,17)13-7-5-12(6-8-13)9-14-4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyLDLDCDRZBUAELV-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43507020
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61470642
4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54935180
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 60823404) is 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC(C)C(C)C)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is LDLDCDRZBUAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)11(3)15-18(16,17)13-7-5-12(6-8-13)9-14-4/h5-8,10-11,14-15H,9H2,1-4H3.
What are the key properties of 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 60823404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).