5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine

C9H17NS — CID 173430912

IUPAC5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=C(SC)C1
InChIInChI=1S/C9H17NS/c1-3-6-10-7-4-5-9(8-10)11-2/h5H,3-4,6-8H2,1-2H3
InChIKeyXNTPWHWTLOBFFP-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.35
Rot. Bonds3

About 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine

5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine (PubChem CID 173430912) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine
PubChem CID173430912
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=C(SC)C1
InChIInChI=1S/C9H17NS/c1-3-6-10-7-4-5-9(8-10)11-2/h5H,3-4,6-8H2,1-2H3
InChIKeyXNTPWHWTLOBFFP-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine (CID 173430912) is 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine is CCCN1CCC=C(SC)C1.
What is the InChIKey of 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine?
The InChIKey is XNTPWHWTLOBFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-6-10-7-4-5-9(8-10)11-2/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine?
5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine has a molecular weight of 171.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 173430912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).