3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide

C8H15F2NO2S — CID 145160118

IUPAC3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide
SMILESCNC(=O)CCS(=O)CCC(C)(F)F
InChIInChI=1S/C8H15F2NO2S/c1-8(9,10)4-6-14(13)5-3-7(12)11-2/h3-6H2,1-2H3,(H,11,12)
InChIKeyIANUDLJKTKRBOR-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.92
Rot. Bonds6

About 3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide

3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide (PubChem CID 145160118) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide
PubChem CID145160118
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide
SMILESCNC(=O)CCS(=O)CCC(C)(F)F
InChIInChI=1S/C8H15F2NO2S/c1-8(9,10)4-6-14(13)5-3-7(12)11-2/h3-6H2,1-2H3,(H,11,12)
InChIKeyIANUDLJKTKRBOR-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide?
The IUPAC name of 3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide (CID 145160118) is 3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide?
The canonical SMILES for 3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide is CNC(=O)CCS(=O)CCC(C)(F)F.
What is the InChIKey of 3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide?
The InChIKey is IANUDLJKTKRBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-8(9,10)4-6-14(13)5-3-7(12)11-2/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide?
3-(3,3-difluorobutylsulfinyl)-N-methylpropanamide has a molecular weight of 227.28 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-(3,3-difluorobutylsulfinyl)-N-methylpropanamide is sourced from PubChem (CID 145160118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).