(E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine

C12H23NS — CID 142185314

IUPAC(E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine
SMILESC/C=C/SC.C=CCN1CCCCC1
InChIInChI=1S/C8H15N.C4H8S/c1-2-6-9-7-4-3-5-8-9;1-3-4-5-2/h2H,1,3-8H2;3-4H,1-2H3/b;4-3+
InChIKeyFADRDLAYKGTZKE-SCBDLNNBSA-N
MW213.39 g/mol
LogP3.54
Rot. Bonds3

About (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine

(E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine (PubChem CID 142185314) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine.

Molecular Properties

Compound Name(E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine
PubChem CID142185314
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name(E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine
SMILESC/C=C/SC.C=CCN1CCCCC1
InChIInChI=1S/C8H15N.C4H8S/c1-2-6-9-7-4-3-5-8-9;1-3-4-5-2/h2H,1,3-8H2;3-4H,1-2H3/b;4-3+
InChIKeyFADRDLAYKGTZKE-SCBDLNNBSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-Fluoropiperidin-1-yl)but-2-ene-1-thiol
CID 164657790
1-Methyl-1-prop-2-enylpiperidin-1-ium
CID 14615525
1-Ethyl-1-prop-2-enylpiperidin-1-ium
CID 14615527
1-(4-Methylsulfanylbut-3-enyl)piperidine
CID 59909346
3-(Pentylsulfanylmethyl)-1-prop-2-enylpiperidine
CID 67493957
4-(Pentylsulfanylmethyl)-1-prop-2-enylpiperidine
CID 67494011
1-(2-Ethenylsulfanylprop-2-enyl)piperidine
CID 68066000
1-Butyl-1-prop-2-enylpiperidin-1-ium
CID 68589536
1-Prop-2-enyl-1-propylpiperidin-1-ium
CID 68590517
3-Pentyl-2,4-dihydro-1,3-thiazine
CID 70196049
1-(1-Sulfanylprop-2-enyl)piperidine-4-thiol
CID 87087020
Methane;1-prop-2-enylpiperidine-4-thiol
CID 87421403

Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine?
The IUPAC name of (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine (CID 142185314) is (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine.
What is the SMILES notation for (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine?
The canonical SMILES for (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine is C/C=C/SC.C=CCN1CCCCC1.
What is the InChIKey of (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine?
The InChIKey is FADRDLAYKGTZKE-SCBDLNNBSA-N. The full InChI is InChI=1S/C8H15N.C4H8S/c1-2-6-9-7-4-3-5-8-9;1-3-4-5-2/h2H,1,3-8H2;3-4H,1-2H3/b;4-3+.
What are the key properties of (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine?
(E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine has a molecular weight of 213.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine is sourced from PubChem (CID 142185314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).