(R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide

C17H22F3NO2S — CID 146810348

IUPAC(R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1cccc(C(F)(F)[C@@H]2CCCO2)c1F
InChIInChI=1S/C17H22F3NO2S/c1-11(21-24(22)16(2,3)4)12-7-5-8-13(15(12)18)17(19,20)14-9-6-10-23-14/h5,7-8,14H,6,9-10H2,1-4H3/t14-,24+/m0/s1
InChIKeyRZYAHLYRJAQBTI-LFPIHBKWSA-N
MW361.43 g/mol
LogP4.37
Rot. Bonds4

About (R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 146810348) has the molecular formula C17H22F3NO2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID146810348
Molecular FormulaC17H22F3NO2S
Molecular Weight361.43 g/mol
Exact Mass361.13
IUPAC Name(R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1cccc(C(F)(F)[C@@H]2CCCO2)c1F
InChIInChI=1S/C17H22F3NO2S/c1-11(21-24(22)16(2,3)4)12-7-5-8-13(15(12)18)17(19,20)14-9-6-10-23-14/h5,7-8,14H,6,9-10H2,1-4H3/t14-,24+/m0/s1
InChIKeyRZYAHLYRJAQBTI-LFPIHBKWSA-N
XLogP4.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide (CID 146810348) is (R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)c1cccc(C(F)(F)[C@@H]2CCCO2)c1F.
What is the InChIKey of (R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is RZYAHLYRJAQBTI-LFPIHBKWSA-N. The full InChI is InChI=1S/C17H22F3NO2S/c1-11(21-24(22)16(2,3)4)12-7-5-8-13(15(12)18)17(19,20)14-9-6-10-23-14/h5,7-8,14H,6,9-10H2,1-4H3/t14-,24+/m0/s1.
What are the key properties of (R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 361.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-[3-[difluoro-[(2S)-oxolan-2-yl]methyl]-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146810348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).