1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine

C16H20FNS — CID 141114100

IUPAC1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc(SC2(CCN3CC=CCC3)CC2)cc1
InChIInChI=1S/C16H20FNS/c17-14-4-6-15(7-5-14)19-16(8-9-16)10-13-18-11-2-1-3-12-18/h1-2,4-7H,3,8-13H2
InChIKeyRACFBXDEAPRDKK-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.10
Rot. Bonds5

About 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine

1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine (PubChem CID 141114100) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine
PubChem CID141114100
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc(SC2(CCN3CC=CCC3)CC2)cc1
InChIInChI=1S/C16H20FNS/c17-14-4-6-15(7-5-14)19-16(8-9-16)10-13-18-11-2-1-3-12-18/h1-2,4-7H,3,8-13H2
InChIKeyRACFBXDEAPRDKK-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine (CID 141114100) is 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine is Fc1ccc(SC2(CCN3CC=CCC3)CC2)cc1.
What is the InChIKey of 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is RACFBXDEAPRDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c17-14-4-6-15(7-5-14)19-16(8-9-16)10-13-18-11-2-1-3-12-18/h1-2,4-7H,3,8-13H2.
What are the key properties of 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine?
1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 277.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141114100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).