5-(2-methylthiiran-2-yl)-1,2-dihydropyridine

C8H11NS — CID 139519888

IUPAC5-(2-methylthiiran-2-yl)-1,2-dihydropyridine
SMILESCC1(C2=CNCC=C2)CS1
InChIInChI=1S/C8H11NS/c1-8(6-10-8)7-3-2-4-9-5-7/h2-3,5,9H,4,6H2,1H3
InChIKeyGKQMOURMXBGQFL-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.54
Rot. Bonds1

About 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine

5-(2-methylthiiran-2-yl)-1,2-dihydropyridine (PubChem CID 139519888) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-(2-methylthiiran-2-yl)-1,2-dihydropyridine
PubChem CID139519888
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5-(2-methylthiiran-2-yl)-1,2-dihydropyridine
SMILESCC1(C2=CNCC=C2)CS1
InChIInChI=1S/C8H11NS/c1-8(6-10-8)7-3-2-4-9-5-7/h2-3,5,9H,4,6H2,1H3
InChIKeyGKQMOURMXBGQFL-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine?
The IUPAC name of 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine (CID 139519888) is 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine is CC1(C2=CNCC=C2)CS1.
What is the InChIKey of 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine?
The InChIKey is GKQMOURMXBGQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-8(6-10-8)7-3-2-4-9-5-7/h2-3,5,9H,4,6H2,1H3.
What are the key properties of 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine?
5-(2-methylthiiran-2-yl)-1,2-dihydropyridine has a molecular weight of 153.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylthiiran-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 139519888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).