5-ethylsulfinyl-1,3-thiazole-2-sulfonamide

C5H8N2O3S3 — CID 15337826

IUPAC5-ethylsulfinyl-1,3-thiazole-2-sulfonamide
SMILESCCS(=O)c1cnc(S(N)(=O)=O)s1
InChIInChI=1S/C5H8N2O3S3/c1-2-12(8)4-3-7-5(11-4)13(6,9)10/h3H,2H2,1H3,(H2,6,9,10)
InChIKeyOLPLSBRUKNOKBJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP-0.08
Rot. Bonds3

About 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide

5-ethylsulfinyl-1,3-thiazole-2-sulfonamide (PubChem CID 15337826) has the molecular formula C5H8N2O3S3 and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound Name5-ethylsulfinyl-1,3-thiazole-2-sulfonamide
PubChem CID15337826
Molecular FormulaC5H8N2O3S3
Molecular Weight240.33 g/mol
Exact Mass239.97
IUPAC Name5-ethylsulfinyl-1,3-thiazole-2-sulfonamide
SMILESCCS(=O)c1cnc(S(N)(=O)=O)s1
InChIInChI=1S/C5H8N2O3S3/c1-2-12(8)4-3-7-5(11-4)13(6,9)10/h3H,2H2,1H3,(H2,6,9,10)
InChIKeyOLPLSBRUKNOKBJ-UHFFFAOYSA-N
XLogP-0.08
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide?
The IUPAC name of 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide (CID 15337826) is 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide?
The canonical SMILES for 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide is CCS(=O)c1cnc(S(N)(=O)=O)s1.
What is the InChIKey of 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide?
The InChIKey is OLPLSBRUKNOKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S3/c1-2-12(8)4-3-7-5(11-4)13(6,9)10/h3H,2H2,1H3,(H2,6,9,10).
What are the key properties of 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide?
5-ethylsulfinyl-1,3-thiazole-2-sulfonamide has a molecular weight of 240.33 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyl-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 15337826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).