(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

C14H22F2N2O2S — CID 67509758

IUPAC(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccc(OCC(C)(F)F)nc1
InChIInChI=1S/C14H22F2N2O2S/c1-10(18-21(19)13(2,3)4)11-6-7-12(17-8-11)20-9-14(5,15)16/h6-8,10,18H,9H2,1-5H3/t10?,21-/m1/s1
InChIKeyZQXLHRANYHITJT-SDPOGBSXSA-N
MW320.41 g/mol
LogP3.23
Rot. Bonds6

About (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 67509758) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID67509758
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccc(OCC(C)(F)F)nc1
InChIInChI=1S/C14H22F2N2O2S/c1-10(18-21(19)13(2,3)4)11-6-7-12(17-8-11)20-9-14(5,15)16/h6-8,10,18H,9H2,1-5H3/t10?,21-/m1/s1
InChIKeyZQXLHRANYHITJT-SDPOGBSXSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (CID 67509758) is (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is CC(N[S@](=O)C(C)(C)C)c1ccc(OCC(C)(F)F)nc1.
What is the InChIKey of (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZQXLHRANYHITJT-SDPOGBSXSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-10(18-21(19)13(2,3)4)11-6-7-12(17-8-11)20-9-14(5,15)16/h6-8,10,18H,9H2,1-5H3/t10?,21-/m1/s1.
What are the key properties of (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 320.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67509758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).