4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine

C15H23NS — CID 118603299

IUPAC4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CC=C(C2=CCCC(SC)=C2)CC1
InChIInChI=1S/C15H23NS/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)17-2/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyULVHCZLZEVLKKF-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.00
Rot. Bonds4

About 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine

4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine (PubChem CID 118603299) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine
PubChem CID118603299
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CC=C(C2=CCCC(SC)=C2)CC1
InChIInChI=1S/C15H23NS/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)17-2/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyULVHCZLZEVLKKF-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine (CID 118603299) is 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine is CCCN1CC=C(C2=CCCC(SC)=C2)CC1.
What is the InChIKey of 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine?
The InChIKey is ULVHCZLZEVLKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)17-2/h5,7,12H,3-4,6,8-11H2,1-2H3.
What are the key properties of 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine?
4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine has a molecular weight of 249.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 118603299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).