1-(3-methylsulfanylbut-2-enyl)piperidine

C10H19NS — CID 178170618

IUPAC1-(3-methylsulfanylbut-2-enyl)piperidine
SMILESCSC(C)=CCN1CCCCC1
InChIInChI=1S/C10H19NS/c1-10(12-2)6-9-11-7-4-3-5-8-11/h6H,3-5,7-9H2,1-2H3
InChIKeyQHHPRPBKLBDWJK-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-methylsulfanylbut-2-enyl)piperidine

1-(3-methylsulfanylbut-2-enyl)piperidine (PubChem CID 178170618) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-(3-methylsulfanylbut-2-enyl)piperidine.

Molecular Properties

Compound Name1-(3-methylsulfanylbut-2-enyl)piperidine
PubChem CID178170618
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-(3-methylsulfanylbut-2-enyl)piperidine
SMILESCSC(C)=CCN1CCCCC1
InChIInChI=1S/C10H19NS/c1-10(12-2)6-9-11-7-4-3-5-8-11/h6H,3-5,7-9H2,1-2H3
InChIKeyQHHPRPBKLBDWJK-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite
CID 163746441
1-(2-Ethenylsulfanylprop-2-enyl)piperidine
CID 68066000
Methane;1-prop-2-enylpiperidine-4-thiol
CID 87421403
Methane;1-prop-2-enylpiperidine-3-thiol
CID 87421550
Methanethiol;1-prop-2-enylpiperidine
CID 87421580
1-Methyl-4-prop-1-en-2-ylsulfanylpiperidine
CID 142009640
(E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine
CID 142185314
1-[(Z)-2-[(Z)-but-2-en-2-yl]sulfanylbut-2-enyl]piperidine
CID 144347263
ethane;1-(4H-thiopyran-2-ylmethyl)piperidine
CID 144487050
Dimethyl-piperidin-1-yl-prop-2-enyl-lambda4-sulfane
CID 170210016
Potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine
CID 178170617
1-[3,3-Bis(ethylsulfanyl)prop-2-enyl]piperidine
CID 10900906

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylbut-2-enyl)piperidine?
The IUPAC name of 1-(3-methylsulfanylbut-2-enyl)piperidine (CID 178170618) is 1-(3-methylsulfanylbut-2-enyl)piperidine.
What is the SMILES notation for 1-(3-methylsulfanylbut-2-enyl)piperidine?
The canonical SMILES for 1-(3-methylsulfanylbut-2-enyl)piperidine is CSC(C)=CCN1CCCCC1.
What is the InChIKey of 1-(3-methylsulfanylbut-2-enyl)piperidine?
The InChIKey is QHHPRPBKLBDWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-10(12-2)6-9-11-7-4-3-5-8-11/h6H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(3-methylsulfanylbut-2-enyl)piperidine?
1-(3-methylsulfanylbut-2-enyl)piperidine has a molecular weight of 185.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylbut-2-enyl)piperidine is sourced from PubChem (CID 178170618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).