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

C13H19N3O2S3 — CID 106095026

IUPAC4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCCc2csc(C)n2)c1
InChIInChI=1S/C13H19N3O2S3/c1-3-14-7-11-6-13(20-8-11)21(17,18)15-5-4-12-9-19-10(2)16-12/h6,8-9,14-15H,3-5,7H2,1-2H3
InChIKeyYKYOPPDHHFZPPZ-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.14
Rot. Bonds8

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

4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106095026) has the molecular formula C13H19N3O2S3 and a molecular weight of 345.52 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106095026
Molecular FormulaC13H19N3O2S3
Molecular Weight345.52 g/mol
Exact Mass345.06
IUPAC Name4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCCc2csc(C)n2)c1
InChIInChI=1S/C13H19N3O2S3/c1-3-14-7-11-6-13(20-8-11)21(17,18)15-5-4-12-9-19-10(2)16-12/h6,8-9,14-15H,3-5,7H2,1-2H3
InChIKeyYKYOPPDHHFZPPZ-UHFFFAOYSA-N
XLogP2.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106064146
4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095002
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106378311
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106082258
N-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106069682
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106091614
4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378210
5-amino-2-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034297
methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate
CID 75390881

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 106095026) is 4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)NCCc2csc(C)n2)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YKYOPPDHHFZPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S3/c1-3-14-7-11-6-13(20-8-11)21(17,18)15-5-4-12-9-19-10(2)16-12/h6,8-9,14-15H,3-5,7H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 345.52 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106095026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).