2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide

C13H19N3O2S3 — CID 102752676

IUPAC2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCc1cnc(C)s1
InChIInChI=1S/C13H19N3O2S3/c1-4-14-7-12-13(9(2)8-19-12)21(17,18)16-6-11-5-15-10(3)20-11/h5,8,14,16H,4,6-7H2,1-3H3
InChIKeyIMYRKLXSYDRJDC-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.41
Rot. Bonds7

About 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide

2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide (PubChem CID 102752676) has the molecular formula C13H19N3O2S3 and a molecular weight of 345.52 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
PubChem CID102752676
Molecular FormulaC13H19N3O2S3
Molecular Weight345.52 g/mol
Exact Mass345.06
IUPAC Name2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCc1cnc(C)s1
InChIInChI=1S/C13H19N3O2S3/c1-4-14-7-12-13(9(2)8-19-12)21(17,18)16-6-11-5-15-10(3)20-11/h5,8,14,16H,4,6-7H2,1-3H3
InChIKeyIMYRKLXSYDRJDC-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 154739438
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
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
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
3-amino-2,6-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280403
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085306
2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093653
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide (CID 102752676) is 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)NCc1cnc(C)s1.
What is the InChIKey of 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is IMYRKLXSYDRJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S3/c1-4-14-7-12-13(9(2)8-19-12)21(17,18)16-6-11-5-15-10(3)20-11/h5,8,14,16H,4,6-7H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide?
2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 345.52 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102752676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).