N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine

C8H15N3O2S2 — CID 65268232

IUPACN-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CS(C)(=O)=O)ns1
InChIInChI=1S/C8H15N3O2S2/c1-6(2)4-9-8-10-7(11-14-8)5-15(3,12)13/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyXEYLPXZBFXKGGE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.15
Rot. Bonds5

About N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine

N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268232) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268232
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CS(C)(=O)=O)ns1
InChIInChI=1S/C8H15N3O2S2/c1-6(2)4-9-8-10-7(11-14-8)5-15(3,12)13/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyXEYLPXZBFXKGGE-UHFFFAOYSA-N
XLogP1.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268232) is N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(CS(C)(=O)=O)ns1.
What is the InChIKey of N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is XEYLPXZBFXKGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-6(2)4-9-8-10-7(11-14-8)5-15(3,12)13/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 249.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).