3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine

C8H15N3O2S2 — CID 65270902

IUPAC3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C8H15N3O2S2/c1-3-7-10-8(14-11-7)9-5-4-6-15(2,12)13/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyBEERQQRAZWNUJN-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.95
Rot. Bonds6

About 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65270902) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65270902
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC Name3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C8H15N3O2S2/c1-3-7-10-8(14-11-7)9-5-4-6-15(2,12)13/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyBEERQQRAZWNUJN-UHFFFAOYSA-N
XLogP0.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine (CID 65270902) is 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCCS(C)(=O)=O)n1.
What is the InChIKey of 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BEERQQRAZWNUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-3-7-10-8(14-11-7)9-5-4-6-15(2,12)13/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 249.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).