5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide

C9H9N3O2S3 — CID 18526367

IUPAC5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
SMILESCSc1nccc(-c2ccc(S(N)(=O)=O)s2)n1
InChIInChI=1S/C9H9N3O2S3/c1-15-9-11-5-4-6(12-9)7-2-3-8(16-7)17(10,13)14/h2-5H,1H3,(H2,10,13,14)
InChIKeyVVKAWWTVRCMTSV-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.57
Rot. Bonds3

About 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide

5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide (PubChem CID 18526367) has the molecular formula C9H9N3O2S3 and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
PubChem CID18526367
Molecular FormulaC9H9N3O2S3
Molecular Weight287.39 g/mol
Exact Mass286.99
IUPAC Name5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
SMILESCSc1nccc(-c2ccc(S(N)(=O)=O)s2)n1
InChIInChI=1S/C9H9N3O2S3/c1-15-9-11-5-4-6(12-9)7-2-3-8(16-7)17(10,13)14/h2-5H,1H3,(H2,10,13,14)
InChIKeyVVKAWWTVRCMTSV-UHFFFAOYSA-N
XLogP1.57
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide (CID 18526367) is 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide is CSc1nccc(-c2ccc(S(N)(=O)=O)s2)n1.
What is the InChIKey of 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is VVKAWWTVRCMTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S3/c1-15-9-11-5-4-6(12-9)7-2-3-8(16-7)17(10,13)14/h2-5H,1H3,(H2,10,13,14).
What are the key properties of 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide?
5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 18526367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).