1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine

C10H15NS — CID 123247152

IUPAC1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine
SMILESCSC=C(C)C1=CCN(C)C=C1
InChIInChI=1S/C10H15NS/c1-9(8-12-3)10-4-6-11(2)7-5-10/h4-6,8H,7H2,1-3H3
InChIKeyHUCPTMPANBNESQ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.64
Rot. Bonds2

About 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine

1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine (PubChem CID 123247152) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine
PubChem CID123247152
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine
SMILESCSC=C(C)C1=CCN(C)C=C1
InChIInChI=1S/C10H15NS/c1-9(8-12-3)10-4-6-11(2)7-5-10/h4-6,8H,7H2,1-3H3
InChIKeyHUCPTMPANBNESQ-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine?
The IUPAC name of 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine (CID 123247152) is 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine?
The canonical SMILES for 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine is CSC=C(C)C1=CCN(C)C=C1.
What is the InChIKey of 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine?
The InChIKey is HUCPTMPANBNESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-9(8-12-3)10-4-6-11(2)7-5-10/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine?
1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine has a molecular weight of 181.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine is sourced from PubChem (CID 123247152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).