4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine

C9H15NS — CID 126687656

IUPAC4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=C(C)SC1=C(C)CCNC1
InChIInChI=1S/C9H15NS/c1-7(2)11-9-6-10-5-4-8(9)3/h10H,1,4-6H2,2-3H3
InChIKeyWNPYLUIVPODNKE-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.52
Rot. Bonds2

About 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine

4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 126687656) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID126687656
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=C(C)SC1=C(C)CCNC1
InChIInChI=1S/C9H15NS/c1-7(2)11-9-6-10-5-4-8(9)3/h10H,1,4-6H2,2-3H3
InChIKeyWNPYLUIVPODNKE-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine (CID 126687656) is 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine is C=C(C)SC1=C(C)CCNC1.
What is the InChIKey of 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is WNPYLUIVPODNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7(2)11-9-6-10-5-4-8(9)3/h10H,1,4-6H2,2-3H3.
What are the key properties of 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine?
4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 169.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 126687656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).