2-(methylsulfanylmethyl)-2,3-dihydropyridine

C7H11NS — CID 70055439

IUPAC2-(methylsulfanylmethyl)-2,3-dihydropyridine
SMILESCSCC1CC=CC=N1
InChIInChI=1S/C7H11NS/c1-9-6-7-4-2-3-5-8-7/h2-3,5,7H,4,6H2,1H3
InChIKeyCYUXIJXGBSUWTC-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.75
Rot. Bonds2

About 2-(methylsulfanylmethyl)-2,3-dihydropyridine

2-(methylsulfanylmethyl)-2,3-dihydropyridine (PubChem CID 70055439) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-2,3-dihydropyridine
PubChem CID70055439
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-(methylsulfanylmethyl)-2,3-dihydropyridine
SMILESCSCC1CC=CC=N1
InChIInChI=1S/C7H11NS/c1-9-6-7-4-2-3-5-8-7/h2-3,5,7H,4,6H2,1H3
InChIKeyCYUXIJXGBSUWTC-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89295332
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CID 123154233
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CID 123644316
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CID 126498618

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-2,3-dihydropyridine?
The IUPAC name of 2-(methylsulfanylmethyl)-2,3-dihydropyridine (CID 70055439) is 2-(methylsulfanylmethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-(methylsulfanylmethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-(methylsulfanylmethyl)-2,3-dihydropyridine is CSCC1CC=CC=N1.
What is the InChIKey of 2-(methylsulfanylmethyl)-2,3-dihydropyridine?
The InChIKey is CYUXIJXGBSUWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-9-6-7-4-2-3-5-8-7/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-2,3-dihydropyridine?
2-(methylsulfanylmethyl)-2,3-dihydropyridine has a molecular weight of 141.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-2,3-dihydropyridine is sourced from PubChem (CID 70055439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).