4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide

C13H22N2O2S — CID 43295859

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-11(2)10-15(3)18(16,17)13-7-5-12(9-14)6-8-13/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyLCCYUPOSUSHARB-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.81
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide

4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 43295859) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID43295859
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-11(2)10-15(3)18(16,17)13-7-5-12(9-14)6-8-13/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyLCCYUPOSUSHARB-UHFFFAOYSA-N
XLogP1.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
3-amino-N,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295498
3-hydroxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 81259126
2-amino-N-methyl-N-(2-methylbutyl)pyridine-4-sulfonamide
CID 62143940
3-amino-4-methoxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295497
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 55225592
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 106593839
3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295489
[4-(2-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107767146
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
CID 43296192

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide (CID 43295859) is 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(C)S(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is LCCYUPOSUSHARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-11(2)10-15(3)18(16,17)13-7-5-12(9-14)6-8-13/h5-8,11H,4,9-10,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 43295859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).