3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine

C13H21NS — CID 91246908

IUPAC3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
SMILESCC(SC1C=CC=CC1)C1CCCNC1
InChIInChI=1S/C13H21NS/c1-11(12-6-5-9-14-10-12)15-13-7-3-2-4-8-13/h2-4,7,11-14H,5-6,8-10H2,1H3
InChIKeyNOPOXZBNAHMMIA-UHFFFAOYSA-N
MW223.39 g/mol
LogP2.99
Rot. Bonds3

About 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine

3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine (PubChem CID 91246908) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine.

Molecular Properties

Compound Name3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
PubChem CID91246908
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
SMILESCC(SC1C=CC=CC1)C1CCCNC1
InChIInChI=1S/C13H21NS/c1-11(12-6-5-9-14-10-12)15-13-7-3-2-4-8-13/h2-4,7,11-14H,5-6,8-10H2,1H3
InChIKeyNOPOXZBNAHMMIA-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)piperidine
CID 123393048
4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
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N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine
CID 123794773
1-[4-(1-ethylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine
CID 123881774
2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)thiomorpholine
CID 123952024
3-[6-(2-cyclobutylethyl)-2H-thiopyran-5-yl]-N-methylbutan-1-amine
CID 132196172
4-[Cyclohexa-1,5-dien-1-yl(2,3-dihydrothiophen-2-yl)methylidene]piperidine
CID 141793653
3-(3,4-dihydro-2H-thiopyran-6-yl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine?
The IUPAC name of 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine (CID 91246908) is 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine.
What is the SMILES notation for 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine?
The canonical SMILES for 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine is CC(SC1C=CC=CC1)C1CCCNC1.
What is the InChIKey of 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine?
The InChIKey is NOPOXZBNAHMMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-11(12-6-5-9-14-10-12)15-13-7-3-2-4-8-13/h2-4,7,11-14H,5-6,8-10H2,1H3.
What are the key properties of 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine?
3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine has a molecular weight of 223.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine is sourced from PubChem (CID 91246908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).