3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide

C9H15F2NO2S — CID 162076263

IUPAC3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide
SMILESCCNC(=O)CCS(=O)CC1CC1(F)F
InChIInChI=1S/C9H15F2NO2S/c1-2-12-8(13)3-4-15(14)6-7-5-9(7,10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKeyZBSXIJIJURCEQS-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.92
Rot. Bonds6

About 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide

3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide (PubChem CID 162076263) has the molecular formula C9H15F2NO2S and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide
PubChem CID162076263
Molecular FormulaC9H15F2NO2S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide
SMILESCCNC(=O)CCS(=O)CC1CC1(F)F
InChIInChI=1S/C9H15F2NO2S/c1-2-12-8(13)3-4-15(14)6-7-5-9(7,10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKeyZBSXIJIJURCEQS-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21026487
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CID 58263712
N-(2,2-dimethylpropyl)-3,3,3-trifluoro-2-(propylsulfanylmethyl)propanamide
CID 88902638
N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 90338985
N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 118025117
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]-N-methylpropanamide
CID 134298580
3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide
CID 134298582
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide
CID 134298584
3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide
CID 134298731
N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide
CID 134298732

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide?
The IUPAC name of 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide (CID 162076263) is 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide.
What is the SMILES notation for 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide?
The canonical SMILES for 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide is CCNC(=O)CCS(=O)CC1CC1(F)F.
What is the InChIKey of 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide?
The InChIKey is ZBSXIJIJURCEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2S/c1-2-12-8(13)3-4-15(14)6-7-5-9(7,10)11/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide?
3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide has a molecular weight of 239.29 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide is sourced from PubChem (CID 162076263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).