1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine

C14H17NS — CID 21152358

IUPAC1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine
SMILESCN1C=CC(CCSc2ccccc2)=CC1
InChIInChI=1S/C14H17NS/c1-15-10-7-13(8-11-15)9-12-16-14-5-3-2-4-6-14/h2-8,10H,9,11-12H2,1H3
InChIKeyCZUOQTXRTAQUNT-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.55
Rot. Bonds4

About 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine

1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine (PubChem CID 21152358) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine
PubChem CID21152358
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine
SMILESCN1C=CC(CCSc2ccccc2)=CC1
InChIInChI=1S/C14H17NS/c1-15-10-7-13(8-11-15)9-12-16-14-5-3-2-4-6-14/h2-8,10H,9,11-12H2,1H3
InChIKeyCZUOQTXRTAQUNT-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine?
The IUPAC name of 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine (CID 21152358) is 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine?
The canonical SMILES for 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine is CN1C=CC(CCSc2ccccc2)=CC1.
What is the InChIKey of 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine?
The InChIKey is CZUOQTXRTAQUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-15-10-7-13(8-11-15)9-12-16-14-5-3-2-4-6-14/h2-8,10H,9,11-12H2,1H3.
What are the key properties of 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine?
1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine has a molecular weight of 231.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylsulfanylethyl)-2H-pyridine is sourced from PubChem (CID 21152358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).