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

C13H19N3O2S3 — CID 106095002

IUPAC4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCCc2csc(C)n2)cc1C
InChIInChI=1S/C13H19N3O2S3/c1-9-6-13(20-12(9)7-14-3)21(17,18)15-5-4-11-8-19-10(2)16-11/h6,8,14-15H,4-5,7H2,1-3H3
InChIKeyRIEZCVUTHIQVIF-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.06
Rot. Bonds7

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

4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106095002) has the molecular formula C13H19N3O2S3 and a molecular weight of 345.52 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106095002
Molecular FormulaC13H19N3O2S3
Molecular Weight345.52 g/mol
Exact Mass345.06
IUPAC Name4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCCc2csc(C)n2)cc1C
InChIInChI=1S/C13H19N3O2S3/c1-9-6-13(20-12(9)7-14-3)21(17,18)15-5-4-11-8-19-10(2)16-11/h6,8,14-15H,4-5,7H2,1-3H3
InChIKeyRIEZCVUTHIQVIF-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106049683
4-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114141439
4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106411268
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095026
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 106049175
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106832986
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106038822
4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106064620
3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034093
5-amino-2-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034297

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 106095002) is 4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NCCc2csc(C)n2)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is RIEZCVUTHIQVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S3/c1-9-6-13(20-12(9)7-14-3)21(17,18)15-5-4-11-8-19-10(2)16-11/h6,8,14-15H,4-5,7H2,1-3H3.
What are the key properties of 4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 345.52 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106095002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).