3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine

C8H13N3O2S2 — CID 65271059

IUPAC3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3O2S2/c1-15(12,13)5-4-9-8-10-7(11-14-8)6-2-3-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyITLJLNZPKHNNAO-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.87
Rot. Bonds5

About 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271059) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271059
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3O2S2/c1-15(12,13)5-4-9-8-10-7(11-14-8)6-2-3-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyITLJLNZPKHNNAO-UHFFFAOYSA-N
XLogP0.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine (CID 65271059) is 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine is CS(=O)(=O)CCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ITLJLNZPKHNNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-15(12,13)5-4-9-8-10-7(11-14-8)6-2-3-6/h6H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 247.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).