2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide

C13H18N2O2S3 — CID 106049842

IUPAC2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ccsc2)c(C)s1
InChIInChI=1S/C13H18N2O2S3/c1-10-13(7-12(19-10)8-14-2)20(16,17)15-5-3-11-4-6-18-9-11/h4,6-7,9,14-15H,3,5,8H2,1-2H3
InChIKeyPDCXHHGVAFZUAR-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.36
Rot. Bonds7

About 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide

2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide (PubChem CID 106049842) has the molecular formula C13H18N2O2S3 and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
PubChem CID106049842
Molecular FormulaC13H18N2O2S3
Molecular Weight330.50 g/mol
Exact Mass330.05
IUPAC Name2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ccsc2)c(C)s1
InChIInChI=1S/C13H18N2O2S3/c1-10-13(7-12(19-10)8-14-2)20(16,17)15-5-3-11-4-6-18-9-11/h4,6-7,9,14-15H,3,5,8H2,1-2H3
InChIKeyPDCXHHGVAFZUAR-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-3-sulfonamide
CID 114141600
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106050066
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049907
2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106050019
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049854
2-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106411220
2-methyl-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106067958
2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073530
3-amino-5-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114379338
5-amino-4-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114625464
5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide
CID 106049895
2-methyl-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102915780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide (CID 106049842) is 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCc2ccsc2)c(C)s1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
The InChIKey is PDCXHHGVAFZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S3/c1-10-13(7-12(19-10)8-14-2)20(16,17)15-5-3-11-4-6-18-9-11/h4,6-7,9,14-15H,3,5,8H2,1-2H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide has a molecular weight of 330.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106049842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).