6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine

C14H23NS — CID 123173450

IUPAC6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine
SMILESC=CC1(C2CCCCC2)C=CC(SC)CN1
InChIInChI=1S/C14H23NS/c1-3-14(12-7-5-4-6-8-12)10-9-13(16-2)11-15-14/h3,9-10,12-13,15H,1,4-8,11H2,2H3
InChIKeyHRMJUYBXVGUABY-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.38
Rot. Bonds3

About 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine

6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine (PubChem CID 123173450) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine.

Molecular Properties

Compound Name6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine
PubChem CID123173450
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine
SMILESC=CC1(C2CCCCC2)C=CC(SC)CN1
InChIInChI=1S/C14H23NS/c1-3-14(12-7-5-4-6-8-12)10-9-13(16-2)11-15-14/h3,9-10,12-13,15H,1,4-8,11H2,2H3
InChIKeyHRMJUYBXVGUABY-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(Z,7R,11Z)-11-[(Z)-4-[(3R,6S)-6-[(1R)-cyclohex-2-en-1-yl]-5,6-dimethyl-2,3-dihydro-1H-pyridin-3-yl]pent-3-enylidene]-14-ethyl-6,7,10,12,13-pentamethyloctadec-5-ene-5-thiol
CID 89392156
3-[(1S,2R)-2-methyl-4-(propylaminomethyl)cyclohex-3-en-1-yl]propane-1-thiol
CID 117861843
N-tert-butyl-6-ethyl-4-[[[(2Z)-hexa-2,5-dien-2-yl]-methyl-lambda4-sulfanylidene]methyl]nonan-1-amine
CID 123679987
(Z)-4-methyl-N-[2-methyl-1-[2-[(Z)-2-methylidenehex-4-enyl]-3,4-dihydro-2H-thiopyran-3-yl]propyl]pent-2-en-1-amine
CID 167159444
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine
CID 60663567
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981187
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methylsulfanylethanamine
CID 103276803
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 103277077
1-cyclohex-3-en-1-yl-N-[(1-methylsulfanylcyclohexyl)methyl]methanamine
CID 105815468
N-[(1-methylsulfanylcyclohexyl)methyl]cyclohex-2-en-1-amine
CID 105821319
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 105867726
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methylsulfanylcyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine?
The IUPAC name of 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine (CID 123173450) is 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine.
What is the SMILES notation for 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine?
The canonical SMILES for 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine is C=CC1(C2CCCCC2)C=CC(SC)CN1.
What is the InChIKey of 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine?
The InChIKey is HRMJUYBXVGUABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-14(12-7-5-4-6-8-12)10-9-13(16-2)11-15-14/h3,9-10,12-13,15H,1,4-8,11H2,2H3.
What are the key properties of 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine?
6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine has a molecular weight of 237.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine is sourced from PubChem (CID 123173450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).