2-(methylsulfanylmethyl)-1,2-dihydropyridine

C7H11NS — CID 22156945

IUPAC2-(methylsulfanylmethyl)-1,2-dihydropyridine
SMILESCSCC1C=CC=CN1
InChIInChI=1S/C7H11NS/c1-9-6-7-4-2-3-5-8-7/h2-5,7-8H,6H2,1H3
InChIKeyCGSHQPUWUNBDDP-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.39
Rot. Bonds2

About 2-(methylsulfanylmethyl)-1,2-dihydropyridine

2-(methylsulfanylmethyl)-1,2-dihydropyridine (PubChem CID 22156945) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1,2-dihydropyridine
PubChem CID22156945
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-(methylsulfanylmethyl)-1,2-dihydropyridine
SMILESCSCC1C=CC=CN1
InChIInChI=1S/C7H11NS/c1-9-6-7-4-2-3-5-8-7/h2-5,7-8H,6H2,1H3
InChIKeyCGSHQPUWUNBDDP-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1,2-dihydropyridine?
The IUPAC name of 2-(methylsulfanylmethyl)-1,2-dihydropyridine (CID 22156945) is 2-(methylsulfanylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-(methylsulfanylmethyl)-1,2-dihydropyridine is CSCC1C=CC=CN1.
What is the InChIKey of 2-(methylsulfanylmethyl)-1,2-dihydropyridine?
The InChIKey is CGSHQPUWUNBDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-9-6-7-4-2-3-5-8-7/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-1,2-dihydropyridine?
2-(methylsulfanylmethyl)-1,2-dihydropyridine has a molecular weight of 141.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 22156945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).