2-propylsulfanyl-1,2-dihydropyridine

C8H13NS — CID 22928844

IUPAC2-propylsulfanyl-1,2-dihydropyridine
SMILESCCCSC1C=CC=CN1
InChIInChI=1S/C8H13NS/c1-2-7-10-8-5-3-4-6-9-8/h3-6,8-9H,2,7H2,1H3
InChIKeyCILXSCIQJNTGDH-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.13
Rot. Bonds3

About 2-propylsulfanyl-1,2-dihydropyridine

2-propylsulfanyl-1,2-dihydropyridine (PubChem CID 22928844) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-propylsulfanyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-propylsulfanyl-1,2-dihydropyridine
PubChem CID22928844
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-propylsulfanyl-1,2-dihydropyridine
SMILESCCCSC1C=CC=CN1
InChIInChI=1S/C8H13NS/c1-2-7-10-8-5-3-4-6-9-8/h3-6,8-9H,2,7H2,1H3
InChIKeyCILXSCIQJNTGDH-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-1,2-dihydropyridine?
The IUPAC name of 2-propylsulfanyl-1,2-dihydropyridine (CID 22928844) is 2-propylsulfanyl-1,2-dihydropyridine.
What is the SMILES notation for 2-propylsulfanyl-1,2-dihydropyridine?
The canonical SMILES for 2-propylsulfanyl-1,2-dihydropyridine is CCCSC1C=CC=CN1.
What is the InChIKey of 2-propylsulfanyl-1,2-dihydropyridine?
The InChIKey is CILXSCIQJNTGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-7-10-8-5-3-4-6-9-8/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 2-propylsulfanyl-1,2-dihydropyridine?
2-propylsulfanyl-1,2-dihydropyridine has a molecular weight of 155.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-1,2-dihydropyridine is sourced from PubChem (CID 22928844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).