3-ethenylsulfanylpiperidine

C7H13NS — CID 164539291

IUPAC3-ethenylsulfanylpiperidine
SMILESC=CSC1CCCNC1
InChIInChI=1S/C7H13NS/c1-2-9-7-4-3-5-8-6-7/h2,7-8H,1,3-6H2
InChIKeyHSUMNGBRQFDRIC-UHFFFAOYSA-N
MW143.26 g/mol
LogP1.62
Rot. Bonds2

About 3-ethenylsulfanylpiperidine

3-ethenylsulfanylpiperidine (PubChem CID 164539291) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is 3-ethenylsulfanylpiperidine.

Molecular Properties

Compound Name3-ethenylsulfanylpiperidine
PubChem CID164539291
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Name3-ethenylsulfanylpiperidine
SMILESC=CSC1CCCNC1
InChIInChI=1S/C7H13NS/c1-2-9-7-4-3-5-8-6-7/h2,7-8H,1,3-6H2
InChIKeyHSUMNGBRQFDRIC-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methylsulfanyl)piperidine hydrochloride
CID 50998950
4-Methylthiopiperidine
CID 17805752
3-Fluoro-4-methylsulfanylpiperidine
CID 90176868
(+/-)-cis-3-Fluoro-4-methylsulfanylpiperidine
CID 90183725
(3S,4R)-3-fluoro-4-methylsulfanylpiperidine
CID 118661743
(4S)-3-fluoro-4-methylsulfanylpiperidine
CID 144632945
(3R,4R)-3-fluoro-4-methylsulfanylpiperidine
CID 152657273
4-(2-Fluoroethylsulfanyl)piperidine
CID 84651739
3-(2-Fluoroethylsulfanyl)piperidine
CID 84651740
1-Methyl-3-methylsulfanylpiperidin-1-ium
CID 73805696
3-Methylsulfanylpiperidine
CID 17805743
(3S)-3-methylsulfanylpiperidine
CID 22841637

Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanylpiperidine?
The IUPAC name of 3-ethenylsulfanylpiperidine (CID 164539291) is 3-ethenylsulfanylpiperidine.
What is the SMILES notation for 3-ethenylsulfanylpiperidine?
The canonical SMILES for 3-ethenylsulfanylpiperidine is C=CSC1CCCNC1.
What is the InChIKey of 3-ethenylsulfanylpiperidine?
The InChIKey is HSUMNGBRQFDRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-9-7-4-3-5-8-6-7/h2,7-8H,1,3-6H2.
What are the key properties of 3-ethenylsulfanylpiperidine?
3-ethenylsulfanylpiperidine has a molecular weight of 143.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanylpiperidine is sourced from PubChem (CID 164539291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).