2-propylsulfanyl-3,4-dihydropyridine

C8H13NS — CID 91276382

IUPAC2-propylsulfanyl-3,4-dihydropyridine
SMILESCCCSC1=NC=CCC1
InChIInChI=1S/C8H13NS/c1-2-7-10-8-5-3-4-6-9-8/h4,6H,2-3,5,7H2,1H3
InChIKeyHHIMNOXQQYBLHQ-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.84
Rot. Bonds2

About 2-propylsulfanyl-3,4-dihydropyridine

2-propylsulfanyl-3,4-dihydropyridine (PubChem CID 91276382) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-propylsulfanyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-propylsulfanyl-3,4-dihydropyridine
PubChem CID91276382
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-propylsulfanyl-3,4-dihydropyridine
SMILESCCCSC1=NC=CCC1
InChIInChI=1S/C8H13NS/c1-2-7-10-8-5-3-4-6-9-8/h4,6H,2-3,5,7H2,1H3
InChIKeyHHIMNOXQQYBLHQ-UHFFFAOYSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-3,4-dihydropyridine?
The IUPAC name of 2-propylsulfanyl-3,4-dihydropyridine (CID 91276382) is 2-propylsulfanyl-3,4-dihydropyridine.
What is the SMILES notation for 2-propylsulfanyl-3,4-dihydropyridine?
The canonical SMILES for 2-propylsulfanyl-3,4-dihydropyridine is CCCSC1=NC=CCC1.
What is the InChIKey of 2-propylsulfanyl-3,4-dihydropyridine?
The InChIKey is HHIMNOXQQYBLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-7-10-8-5-3-4-6-9-8/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 2-propylsulfanyl-3,4-dihydropyridine?
2-propylsulfanyl-3,4-dihydropyridine has a molecular weight of 155.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-3,4-dihydropyridine is sourced from PubChem (CID 91276382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).