2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide

C5H9N3O2S3 — CID 65272793

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide
SMILESCc1nsc(SCCS(N)(=O)=O)n1
InChIInChI=1S/C5H9N3O2S3/c1-4-7-5(12-8-4)11-2-3-13(6,9)10/h2-3H2,1H3,(H2,6,9,10)
InChIKeyFLPLAGWPGFLLGS-UHFFFAOYSA-N
MW239.35 g/mol
LogP0.23
Rot. Bonds4

About 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide

2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide (PubChem CID 65272793) has the molecular formula C5H9N3O2S3 and a molecular weight of 239.35 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide
PubChem CID65272793
Molecular FormulaC5H9N3O2S3
Molecular Weight239.35 g/mol
Exact Mass238.99
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide
SMILESCc1nsc(SCCS(N)(=O)=O)n1
InChIInChI=1S/C5H9N3O2S3/c1-4-7-5(12-8-4)11-2-3-13(6,9)10/h2-3H2,1H3,(H2,6,9,10)
InChIKeyFLPLAGWPGFLLGS-UHFFFAOYSA-N
XLogP0.23
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide (CID 65272793) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide is Cc1nsc(SCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide?
The InChIKey is FLPLAGWPGFLLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S3/c1-4-7-5(12-8-4)11-2-3-13(6,9)10/h2-3H2,1H3,(H2,6,9,10).
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide has a molecular weight of 239.35 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide is sourced from PubChem (CID 65272793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).