2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide

C12H20N2O2S — CID 63197585

IUPAC2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1CC(N)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)11(13)8-10-6-4-5-7-12(10)17(15,16)14-3/h4-7,9,11,14H,8,13H2,1-3H3
InChIKeySDVLKRGWRZRYLT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.12
Rot. Bonds5

About 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide

2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide (PubChem CID 63197585) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
PubChem CID63197585
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1CC(N)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)11(13)8-10-6-4-5-7-12(10)17(15,16)14-3/h4-7,9,11,14H,8,13H2,1-3H3
InChIKeySDVLKRGWRZRYLT-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide
CID 63205435
2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide
CID 63196503
2-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67449324
N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide
CID 97231696
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 61156317
2-dodecyl-N-methylbenzenesulfonamide
CID 154206343
2-[[2-(methylsulfamoyl)phenyl]methyl]prop-2-enoic acid
CID 66674640
2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 66106821

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide (CID 63197585) is 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1CC(N)C(C)C.
What is the InChIKey of 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide?
The InChIKey is SDVLKRGWRZRYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)11(13)8-10-6-4-5-7-12(10)17(15,16)14-3/h4-7,9,11,14H,8,13H2,1-3H3.
What are the key properties of 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide?
2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 63197585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).