(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide

C8H17F2NO2S — CID 166148136

IUPAC(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
SMILESCCOC(N[S@@](=O)C(C)(C)C)C(F)F
InChIInChI=1S/C8H17F2NO2S/c1-5-13-7(6(9)10)11-14(12)8(2,3)4/h6-7,11H,5H2,1-4H3/t7?,14-/m0/s1
InChIKeyNNENNTYHXLGLMQ-YJOZRXJCSA-N
MW229.29 g/mol
LogP1.67
Rot. Bonds5

About (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide

(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide (PubChem CID 166148136) has the molecular formula C8H17F2NO2S and a molecular weight of 229.29 g/mol. Its IUPAC name is (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
PubChem CID166148136
Molecular FormulaC8H17F2NO2S
Molecular Weight229.29 g/mol
Exact Mass229.09
IUPAC Name(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
SMILESCCOC(N[S@@](=O)C(C)(C)C)C(F)F
InChIInChI=1S/C8H17F2NO2S/c1-5-13-7(6(9)10)11-14(12)8(2,3)4/h6-7,11H,5H2,1-4H3/t7?,14-/m0/s1
InChIKeyNNENNTYHXLGLMQ-YJOZRXJCSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide (CID 166148136) is (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide is CCOC(N[S@@](=O)C(C)(C)C)C(F)F.
What is the InChIKey of (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide?
The InChIKey is NNENNTYHXLGLMQ-YJOZRXJCSA-N. The full InChI is InChI=1S/C8H17F2NO2S/c1-5-13-7(6(9)10)11-14(12)8(2,3)4/h6-7,11H,5H2,1-4H3/t7?,14-/m0/s1.
What are the key properties of (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide?
(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide has a molecular weight of 229.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166148136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).