3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine

C8H15N3OS2 — CID 115715199

IUPAC3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CCS(C)=O)n1
InChIInChI=1S/C8H15N3OS2/c1-6(4-5-14(3)12)9-8-10-7(2)11-13-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyLNSDZBZJZYKIQL-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.42
Rot. Bonds5

About 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 115715199) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID115715199
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CCS(C)=O)n1
InChIInChI=1S/C8H15N3OS2/c1-6(4-5-14(3)12)9-8-10-7(2)11-13-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyLNSDZBZJZYKIQL-UHFFFAOYSA-N
XLogP1.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine (CID 115715199) is 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)CCS(C)=O)n1.
What is the InChIKey of 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LNSDZBZJZYKIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-6(4-5-14(3)12)9-8-10-7(2)11-13-8/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 233.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115715199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).