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

C12H20N2O2S — CID 43272087

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H20N2O2S/c1-10(2)9-14(3)17(15,16)12-6-4-11(8-13)5-7-12/h4-7,10H,8-9,13H2,1-3H3
InChIKeyWIRNJWWDTKUMPY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.42
Rot. Bonds5

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

4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43272087) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43272087
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H20N2O2S/c1-10(2)9-14(3)17(15,16)12-6-4-11(8-13)5-7-12/h4-7,10H,8-9,13H2,1-3H3
InChIKeyWIRNJWWDTKUMPY-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295859
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 55225592
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 62143970
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
4-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 55012270
4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 19682262
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 43272087) is 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C)S(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is WIRNJWWDTKUMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10(2)9-14(3)17(15,16)12-6-4-11(8-13)5-7-12/h4-7,10H,8-9,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.42, 5 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-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43272087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).