(R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide

C14H20F2N2O2S — CID 131734096

IUPAC(R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cc(C=N[S@](=O)C(C)(C)C)ncc1OCC(C)(F)F
InChIInChI=1S/C14H20F2N2O2S/c1-10-6-11(7-18-21(19)13(2,3)4)17-8-12(10)20-9-14(5,15)16/h6-8H,9H2,1-5H3/t21-/m1/s1
InChIKeyZQLLCFPGBGJPHO-OAQYLSRUSA-N
MW318.39 g/mol
LogP3.31
Rot. Bonds5

About (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 131734096) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID131734096
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name(R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cc(C=N[S@](=O)C(C)(C)C)ncc1OCC(C)(F)F
InChIInChI=1S/C14H20F2N2O2S/c1-10-6-11(7-18-21(19)13(2,3)4)17-8-12(10)20-9-14(5,15)16/h6-8H,9H2,1-5H3/t21-/m1/s1
InChIKeyZQLLCFPGBGJPHO-OAQYLSRUSA-N
XLogP3.31
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide (CID 131734096) is (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide is Cc1cc(C=N[S@](=O)C(C)(C)C)ncc1OCC(C)(F)F.
What is the InChIKey of (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ZQLLCFPGBGJPHO-OAQYLSRUSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-10-6-11(7-18-21(19)13(2,3)4)17-8-12(10)20-9-14(5,15)16/h6-8H,9H2,1-5H3/t21-/m1/s1.
What are the key properties of (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 318.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 131734096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).