5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine

C5H10N4O2S2 — CID 66279429

IUPAC5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCS(=O)(=O)CCNc1nc(N)ns1
InChIInChI=1S/C5H10N4O2S2/c1-13(10,11)3-2-7-5-8-4(6)9-12-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyFDCXUJUXLOHXPM-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.42
Rot. Bonds4

About 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279429) has the molecular formula C5H10N4O2S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279429
Molecular FormulaC5H10N4O2S2
Molecular Weight222.29 g/mol
Exact Mass222.02
IUPAC Name5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCS(=O)(=O)CCNc1nc(N)ns1
InChIInChI=1S/C5H10N4O2S2/c1-13(10,11)3-2-7-5-8-4(6)9-12-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyFDCXUJUXLOHXPM-UHFFFAOYSA-N
XLogP-0.42
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66279429) is 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine is CS(=O)(=O)CCNc1nc(N)ns1.
What is the InChIKey of 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is FDCXUJUXLOHXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S2/c1-13(10,11)3-2-7-5-8-4(6)9-12-5/h2-3H2,1H3,(H3,6,7,8,9).
What are the key properties of 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 222.29 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).