3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide

C15H20N2O2S2 — CID 106053446

IUPAC3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(CN)c1C)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-3-13(14-7-5-9-20-14)17-21(18,19)15-8-4-6-12(10-16)11(15)2/h4-9,13,17H,3,10,16H2,1-2H3
InChIKeyJAZAHGFYVSVPJJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.94
Rot. Bonds6

About 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide

3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 106053446) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID106053446
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(CN)c1C)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-3-13(14-7-5-9-20-14)17-21(18,19)15-8-4-6-12(10-16)11(15)2/h4-9,13,17H,3,10,16H2,1-2H3
InChIKeyJAZAHGFYVSVPJJ-UHFFFAOYSA-N
XLogP2.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide
CID 106596907
3-(aminomethyl)-2-methyl-N-octan-4-ylbenzenesulfonamide
CID 106094704
3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 106074393
3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 103051123
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide
CID 106054898
4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
CID 106053436
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 82844715
3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021295

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide (CID 106053446) is 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide is CCC(NS(=O)(=O)c1cccc(CN)c1C)c1cccs1.
What is the InChIKey of 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is JAZAHGFYVSVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-3-13(14-7-5-9-20-14)17-21(18,19)15-8-4-6-12(10-16)11(15)2/h4-9,13,17H,3,10,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 106053446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).