2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide

C14H19N3O2S2 — CID 106086860

IUPAC2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C14H19N3O2S2/c1-4-15-8-12-14(10(2)9-20-12)21(18,19)17-13-7-5-6-11(3)16-13/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyTTXCQPLFXCQTBC-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.67
Rot. Bonds6

About 2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide (PubChem CID 106086860) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
PubChem CID106086860
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C14H19N3O2S2/c1-4-15-8-12-14(10(2)9-20-12)21(18,19)17-13-7-5-6-11(3)16-13/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyTTXCQPLFXCQTBC-UHFFFAOYSA-N
XLogP2.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086886
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825
2-(ethylaminomethyl)-N-(3-fluorophenyl)-4-methylthiophene-3-sulfonamide
CID 106060584
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)furan-2-sulfonamide
CID 106086991
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892
2-(ethylaminomethyl)-4-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031666
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102753134
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 106086968
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide (CID 106086860) is 2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)Nc1cccc(C)n1.
What is the InChIKey of 2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide?
The InChIKey is TTXCQPLFXCQTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-15-8-12-14(10(2)9-20-12)21(18,19)17-13-7-5-6-11(3)16-13/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.67, 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-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106086860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).