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

C14H22F2N2O3S — CID 87426975

IUPAC(R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1nc(OCC(F)F)ccc1C(C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C14H22F2N2O3S/c1-9(18-22(19)14(2,3)4)10-6-7-12(17-13(10)20-5)21-8-11(15)16/h6-7,9,11,18H,8H2,1-5H3/t9?,22-/m1/s1
InChIKeyVUWAUQXDOIPUTH-XIRQLBIKSA-N
MW336.40 g/mol
LogP2.85
Rot. Bonds7

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

(R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 87426975) has the molecular formula C14H22F2N2O3S and a molecular weight of 336.40 g/mol. Its IUPAC name is (R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID87426975
Molecular FormulaC14H22F2N2O3S
Molecular Weight336.40 g/mol
Exact Mass336.13
IUPAC Name(R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1nc(OCC(F)F)ccc1C(C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C14H22F2N2O3S/c1-9(18-22(19)14(2,3)4)10-6-7-12(17-13(10)20-5)21-8-11(15)16/h6-7,9,11,18H,8H2,1-5H3/t9?,22-/m1/s1
InChIKeyVUWAUQXDOIPUTH-XIRQLBIKSA-N
XLogP2.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (CID 87426975) is (R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is COc1nc(OCC(F)F)ccc1C(C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VUWAUQXDOIPUTH-XIRQLBIKSA-N. The full InChI is InChI=1S/C14H22F2N2O3S/c1-9(18-22(19)14(2,3)4)10-6-7-12(17-13(10)20-5)21-8-11(15)16/h6-7,9,11,18H,8H2,1-5H3/t9?,22-/m1/s1.
What are the key properties of (R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 336.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 87426975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).