4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide

C15H26N2O2S — CID 106919419

IUPAC4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C15H26N2O2S/c1-5-13(6-2)12(4)17-20(18,19)15-8-7-14(10-16)11(3)9-15/h7-9,12-13,17H,5-6,10,16H2,1-4H3
InChIKeyKELQCXLYZLRKJZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.56
Rot. Bonds7

About 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide

4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide (PubChem CID 106919419) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
PubChem CID106919419
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C15H26N2O2S/c1-5-13(6-2)12(4)17-20(18,19)15-8-7-14(10-16)11(3)9-15/h7-9,12-13,17H,5-6,10,16H2,1-4H3
InChIKeyKELQCXLYZLRKJZ-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-3-methylbenzenesulfonamide
CID 106919310
4-(3-ethylpentan-2-ylsulfamoyl)-2-methylbenzenecarbothioamide
CID 106920226
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 106919463
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
4-(aminomethyl)-3-methyl-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 106919600
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 63841716
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide (CID 106919419) is 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide is CCC(CC)C(C)NS(=O)(=O)c1ccc(CN)c(C)c1.
What is the InChIKey of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is KELQCXLYZLRKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-13(6-2)12(4)17-20(18,19)15-8-7-14(10-16)11(3)9-15/h7-9,12-13,17H,5-6,10,16H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide?
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).