6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine

C11H17NS — CID 139572219

IUPAC6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine
SMILESC=C(SC(C)C)C1=CC=C(C)NC1
InChIInChI=1S/C11H17NS/c1-8(2)13-10(4)11-6-5-9(3)12-7-11/h5-6,8,12H,4,7H2,1-3H3
InChIKeyFVWMVNGQNNKEAU-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.08
Rot. Bonds3

About 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine

6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine (PubChem CID 139572219) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine
PubChem CID139572219
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine
SMILESC=C(SC(C)C)C1=CC=C(C)NC1
InChIInChI=1S/C11H17NS/c1-8(2)13-10(4)11-6-5-9(3)12-7-11/h5-6,8,12H,4,7H2,1-3H3
InChIKeyFVWMVNGQNNKEAU-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine?
The IUPAC name of 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine (CID 139572219) is 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine?
The canonical SMILES for 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine is C=C(SC(C)C)C1=CC=C(C)NC1.
What is the InChIKey of 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine?
The InChIKey is FVWMVNGQNNKEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8(2)13-10(4)11-6-5-9(3)12-7-11/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine?
6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine has a molecular weight of 195.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine is sourced from PubChem (CID 139572219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).