4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide

C15H26N2O2S — CID 106997096

IUPAC4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C15H26N2O2S/c1-11-8-13(9-16)6-7-14(11)20(18,19)17-10-12(2)15(3,4)5/h6-8,12,17H,9-10,16H2,1-5H3
InChIKeyXCSUHXDPPYKXCJ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.41
Rot. Bonds5

About 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide

4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide (PubChem CID 106997096) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
PubChem CID106997096
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C15H26N2O2S/c1-11-8-13(9-16)6-7-14(11)20(18,19)17-10-12(2)15(3,4)5/h6-8,12,17H,9-10,16H2,1-5H3
InChIKeyXCSUHXDPPYKXCJ-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide
CID 106997106
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555
2-bromo-4-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83146874
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102904883
3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83145270
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide (CID 106997096) is 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The InChIKey is XCSUHXDPPYKXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11-8-13(9-16)6-7-14(11)20(18,19)17-10-12(2)15(3,4)5/h6-8,12,17H,9-10,16H2,1-5H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 106997096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).