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

C5H9N3O4S3 — CID 65208888

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide
SMILESCc1nnc(S(=O)(=O)CCS(N)(=O)=O)s1
InChIInChI=1S/C5H9N3O4S3/c1-4-7-8-5(13-4)14(9,10)2-3-15(6,11)12/h2-3H2,1H3,(H2,6,11,12)
InChIKeySIVNJFODVYANAP-UHFFFAOYSA-N
MW271.34 g/mol
LogP-1.09
Rot. Bonds4

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide (PubChem CID 65208888) has the molecular formula C5H9N3O4S3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide
PubChem CID65208888
Molecular FormulaC5H9N3O4S3
Molecular Weight271.34 g/mol
Exact Mass270.98
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide
SMILESCc1nnc(S(=O)(=O)CCS(N)(=O)=O)s1
InChIInChI=1S/C5H9N3O4S3/c1-4-7-8-5(13-4)14(9,10)2-3-15(6,11)12/h2-3H2,1H3,(H2,6,11,12)
InChIKeySIVNJFODVYANAP-UHFFFAOYSA-N
XLogP-1.09
TPSA120.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide (CID 65208888) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide is Cc1nnc(S(=O)(=O)CCS(N)(=O)=O)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide?
The InChIKey is SIVNJFODVYANAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O4S3/c1-4-7-8-5(13-4)14(9,10)2-3-15(6,11)12/h2-3H2,1H3,(H2,6,11,12).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide has a molecular weight of 271.34 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide is sourced from PubChem (CID 65208888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).