2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide

C15H20N2O2S2 — CID 106050066

IUPAC2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCc2ccsc2)c1C
InChIInChI=1S/C15H20N2O2S2/c1-12-14(10-16-2)4-3-5-15(12)21(18,19)17-8-6-13-7-9-20-11-13/h3-5,7,9,11,16-17H,6,8,10H2,1-2H3
InChIKeyQJAYKBGTJALCSC-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.30
Rot. Bonds7

About 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide

2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 106050066) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID106050066
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCc2ccsc2)c1C
InChIInChI=1S/C15H20N2O2S2/c1-12-14(10-16-2)4-3-5-15(12)21(18,19)17-8-6-13-7-9-20-11-13/h3-5,7,9,11,16-17H,6,8,10H2,1-2H3
InChIKeyQJAYKBGTJALCSC-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049842
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049907
2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 106017053
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049854
3-amino-5-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114379338
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
N-(2-butoxyethyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106017620
5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide
CID 106049895
2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 54953527
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049882
5-amino-4-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114625464
3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 107325755

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide (CID 106050066) is 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCCc2ccsc2)c1C.
What is the InChIKey of 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is QJAYKBGTJALCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-12-14(10-16-2)4-3-5-15(12)21(18,19)17-8-6-13-7-9-20-11-13/h3-5,7,9,11,16-17H,6,8,10H2,1-2H3.
What are the key properties of 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106050066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).