1-methyl-4-prop-1-en-2-ylsulfanylpiperidine

C9H17NS — CID 142009640

IUPAC1-methyl-4-prop-1-en-2-ylsulfanylpiperidine
SMILESC=C(C)SC1CCN(C)CC1
InChIInChI=1S/C9H17NS/c1-8(2)11-9-4-6-10(3)7-5-9/h9H,1,4-7H2,2-3H3
InChIKeyLFPQCCPQOQCDBT-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.35
Rot. Bonds2

About 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine

1-methyl-4-prop-1-en-2-ylsulfanylpiperidine (PubChem CID 142009640) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-ylsulfanylpiperidine
PubChem CID142009640
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-methyl-4-prop-1-en-2-ylsulfanylpiperidine
SMILESC=C(C)SC1CCN(C)CC1
InChIInChI=1S/C9H17NS/c1-8(2)11-9-4-6-10(3)7-5-9/h9H,1,4-7H2,2-3H3
InChIKeyLFPQCCPQOQCDBT-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hexylthiomorpholine
CID 11424017
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
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1-(2-Propylsulfanylethynyl)piperidine
CID 13302075
3-Ethylsulfanyl-1-methylpiperidine
CID 15063101
1-(2-Butylsulfanylethynyl)piperidine
CID 134987591
1-Methyl-1-(3-(methylthio)propyl)piperidinium iodide
CID 3030714
(r,s)-3-Ethylsulfanyl-1-methyl-piperidine
CID 15063102
(3R)-1-methyl-3-propan-2-ylsulfanylpiperidine
CID 15063104
1-(2-Methylsulfanylethyl)piperidine
CID 12097393
4-Pentylthiomorpholine
CID 12517934
1-[2-(2-Methylpropylsulfanyl)ethyl]piperidine
CID 13668932
1-[2-(Ethylsulfanyl)ethyl]piperidine
CID 15232575

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine?
The IUPAC name of 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine (CID 142009640) is 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine?
The canonical SMILES for 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine is C=C(C)SC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine?
The InChIKey is LFPQCCPQOQCDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)11-9-4-6-10(3)7-5-9/h9H,1,4-7H2,2-3H3.
What are the key properties of 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine?
1-methyl-4-prop-1-en-2-ylsulfanylpiperidine has a molecular weight of 171.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-en-2-ylsulfanylpiperidine is sourced from PubChem (CID 142009640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).