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

C10H17N3OS2 — CID 115715825

IUPAC3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CCNc1nc(C2CC2)ns1)S(C)=O
InChIInChI=1S/C10H17N3OS2/c1-7(16(2)14)5-6-11-10-12-9(13-15-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyKLTMEECWEAYWPM-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.98
Rot. Bonds6

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

3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 115715825) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID115715825
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CCNc1nc(C2CC2)ns1)S(C)=O
InChIInChI=1S/C10H17N3OS2/c1-7(16(2)14)5-6-11-10-12-9(13-15-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyKLTMEECWEAYWPM-UHFFFAOYSA-N
XLogP1.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine (CID 115715825) is 3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine is CC(CCNc1nc(C2CC2)ns1)S(C)=O.
What is the InChIKey of 3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KLTMEECWEAYWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7(16(2)14)5-6-11-10-12-9(13-15-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 259.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115715825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).