4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine

C9H17NS — CID 142892583

IUPAC4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine
SMILESCS/C=C\CC1CCNCC1
InChIInChI=1S/C9H17NS/c1-11-8-2-3-9-4-6-10-7-5-9/h2,8-10H,3-7H2,1H3/b8-2-
InChIKeyVJKQQFGTWXKDHV-WAPJZHGLSA-N
MW171.31 g/mol
LogP2.25
Rot. Bonds3

About 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine

4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine (PubChem CID 142892583) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine.

Molecular Properties

Compound Name4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine
PubChem CID142892583
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine
SMILESCS/C=C\CC1CCNCC1
InChIInChI=1S/C9H17NS/c1-11-8-2-3-9-4-6-10-7-5-9/h2,8-10H,3-7H2,1H3/b8-2-
InChIKeyVJKQQFGTWXKDHV-WAPJZHGLSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine?
The IUPAC name of 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine (CID 142892583) is 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine.
What is the SMILES notation for 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine?
The canonical SMILES for 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine is CS/C=C\CC1CCNCC1.
What is the InChIKey of 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine?
The InChIKey is VJKQQFGTWXKDHV-WAPJZHGLSA-N. The full InChI is InChI=1S/C9H17NS/c1-11-8-2-3-9-4-6-10-7-5-9/h2,8-10H,3-7H2,1H3/b8-2-.
What are the key properties of 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine?
4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-methylsulfanylprop-2-enyl]piperidine is sourced from PubChem (CID 142892583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).