[4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane

C12H16NO2PS — CID 145237067

IUPAC[4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane
SMILESCS(=O)(=O)c1cccc(C2=CCN(P)CC2)c1
InChIInChI=1S/C12H16NO2PS/c1-17(14,15)12-4-2-3-11(9-12)10-5-7-13(16)8-6-10/h2-5,9H,6-8,16H2,1H3
InChIKeyFXVUIAAPMJIRAQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.97
Rot. Bonds2

About [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane

[4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane (PubChem CID 145237067) has the molecular formula C12H16NO2PS and a molecular weight of 269.31 g/mol. Its IUPAC name is [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane.

Molecular Properties

Compound Name[4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane
PubChem CID145237067
Molecular FormulaC12H16NO2PS
Molecular Weight269.31 g/mol
Exact Mass269.06
IUPAC Name[4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane
SMILESCS(=O)(=O)c1cccc(C2=CCN(P)CC2)c1
InChIInChI=1S/C12H16NO2PS/c1-17(14,15)12-4-2-3-11(9-12)10-5-7-13(16)8-6-10/h2-5,9H,6-8,16H2,1H3
InChIKeyFXVUIAAPMJIRAQ-UHFFFAOYSA-N
XLogP1.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane?
The IUPAC name of [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane (CID 145237067) is [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane.
What is the SMILES notation for [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane?
The canonical SMILES for [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane is CS(=O)(=O)c1cccc(C2=CCN(P)CC2)c1.
What is the InChIKey of [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane?
The InChIKey is FXVUIAAPMJIRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO2PS/c1-17(14,15)12-4-2-3-11(9-12)10-5-7-13(16)8-6-10/h2-5,9H,6-8,16H2,1H3.
What are the key properties of [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane?
[4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane has a molecular weight of 269.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane is sourced from PubChem (CID 145237067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).