3-[(Z)-2-methylsulfanylethenyl]piperidine

C8H15NS — CID 89363452

IUPAC3-[(Z)-2-methylsulfanylethenyl]piperidine
SMILESCS/C=C\C1CCCNC1
InChIInChI=1S/C8H15NS/c1-10-6-4-8-3-2-5-9-7-8/h4,6,8-9H,2-3,5,7H2,1H3/b6-4-
InChIKeyQNCFQOXLNFXPDB-XQRVVYSFSA-N
MW157.28 g/mol
LogP1.86
Rot. Bonds2

About 3-[(Z)-2-methylsulfanylethenyl]piperidine

3-[(Z)-2-methylsulfanylethenyl]piperidine (PubChem CID 89363452) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-[(Z)-2-methylsulfanylethenyl]piperidine.

Molecular Properties

Compound Name3-[(Z)-2-methylsulfanylethenyl]piperidine
PubChem CID89363452
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-[(Z)-2-methylsulfanylethenyl]piperidine
SMILESCS/C=C\C1CCCNC1
InChIInChI=1S/C8H15NS/c1-10-6-4-8-3-2-5-9-7-8/h4,6,8-9H,2-3,5,7H2,1H3/b6-4-
InChIKeyQNCFQOXLNFXPDB-XQRVVYSFSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-methylsulfanylethenyl]piperidine?
The IUPAC name of 3-[(Z)-2-methylsulfanylethenyl]piperidine (CID 89363452) is 3-[(Z)-2-methylsulfanylethenyl]piperidine.
What is the SMILES notation for 3-[(Z)-2-methylsulfanylethenyl]piperidine?
The canonical SMILES for 3-[(Z)-2-methylsulfanylethenyl]piperidine is CS/C=C\C1CCCNC1.
What is the InChIKey of 3-[(Z)-2-methylsulfanylethenyl]piperidine?
The InChIKey is QNCFQOXLNFXPDB-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H15NS/c1-10-6-4-8-3-2-5-9-7-8/h4,6,8-9H,2-3,5,7H2,1H3/b6-4-.
What are the key properties of 3-[(Z)-2-methylsulfanylethenyl]piperidine?
3-[(Z)-2-methylsulfanylethenyl]piperidine has a molecular weight of 157.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-methylsulfanylethenyl]piperidine is sourced from PubChem (CID 89363452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).