2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide

C12H16N2O2S3 — CID 106069892

IUPAC2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C12H16N2O2S3/c1-3-13-6-11-12(9(2)7-18-11)19(15,16)14-10-4-5-17-8-10/h4-5,7-8,13-14H,3,6H2,1-2H3
InChIKeyUOJQVAIULHNDDT-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.03
Rot. Bonds6

About 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide

2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide (PubChem CID 106069892) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
PubChem CID106069892
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC Name2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C12H16N2O2S3/c1-3-13-6-11-12(9(2)7-18-11)19(15,16)14-10-4-5-17-8-10/h4-5,7-8,13-14H,3,6H2,1-2H3
InChIKeyUOJQVAIULHNDDT-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylaminomethyl)-N-(3-fluorophenyl)-4-methylthiophene-3-sulfonamide
CID 106060584
2-(ethylaminomethyl)-4-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031666
5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 106069990
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
CID 106070171
2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086860
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102753134
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
CID 114141603

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide (CID 106069892) is 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)Nc1ccsc1.
What is the InChIKey of 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide?
The InChIKey is UOJQVAIULHNDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c1-3-13-6-11-12(9(2)7-18-11)19(15,16)14-10-4-5-17-8-10/h4-5,7-8,13-14H,3,6H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide?
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide is sourced from PubChem (CID 106069892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).