4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine

C10H19NS — CID 142892584

IUPAC4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine
SMILESCS/C=C\C(C)C1CCNCC1
InChIInChI=1S/C10H19NS/c1-9(5-8-12-2)10-3-6-11-7-4-10/h5,8-11H,3-4,6-7H2,1-2H3/b8-5-
InChIKeyFYFAOXWTDJQZRU-YVMONPNESA-N
MW185.34 g/mol
LogP2.50
Rot. Bonds3

About 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine

4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine (PubChem CID 142892584) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine.

Molecular Properties

Compound Name4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine
PubChem CID142892584
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine
SMILESCS/C=C\C(C)C1CCNCC1
InChIInChI=1S/C10H19NS/c1-9(5-8-12-2)10-3-6-11-7-4-10/h5,8-11H,3-4,6-7H2,1-2H3/b8-5-
InChIKeyFYFAOXWTDJQZRU-YVMONPNESA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-But-3-en-2-ylpiperidine
CID 22080932
3-Ethenyl-4-prop-2-enylpiperidine
CID 69719347
3-But-3-enyl-4-methylpiperidine
CID 89049713
(3S,4S)-4-ethenyl-3-methylpiperidine
CID 89105359
4-(2,3-Dihydrothiophen-2-yl)piperidine
CID 89344852
3-[(Z)-2-methylsulfanylethenyl]piperidine
CID 89363452
4-(Ethylaminomethyl)hex-5-ene-2-thiol
CID 123443695
4-Ethyl-3-prop-2-enylpiperidine
CID 132198520
3-Ethenyl-4-ethylpiperidine
CID 141801767
3-Ethenyl-4-propylpiperidine
CID 141807270
4-Pent-1-en-3-ylpiperidine
CID 141837361
(3R,4R)-3-ethenyl-4-methylpiperidine
CID 142007594

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine?
The IUPAC name of 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine (CID 142892584) is 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine.
What is the SMILES notation for 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine?
The canonical SMILES for 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine is CS/C=C\C(C)C1CCNCC1.
What is the InChIKey of 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine?
The InChIKey is FYFAOXWTDJQZRU-YVMONPNESA-N. The full InChI is InChI=1S/C10H19NS/c1-9(5-8-12-2)10-3-6-11-7-4-10/h5,8-11H,3-4,6-7H2,1-2H3/b8-5-.
What are the key properties of 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine?
4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine has a molecular weight of 185.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-methylsulfanylbut-3-en-2-yl]piperidine is sourced from PubChem (CID 142892584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).