N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide

C7H13F2NO2S — CID 103769619

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(O)C(F)F
InChIInChI=1S/C7H13F2NO2S/c1-13-3-2-6(12)10-4-5(11)7(8)9/h5,7,11H,2-4H2,1H3,(H,10,12)
InChIKeyLCOVDYPWJASFIB-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.48
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide (PubChem CID 103769619) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide
PubChem CID103769619
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(O)C(F)F
InChIInChI=1S/C7H13F2NO2S/c1-13-3-2-6(12)10-4-5(11)7(8)9/h5,7,11H,2-4H2,1H3,(H,10,12)
InChIKeyLCOVDYPWJASFIB-UHFFFAOYSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Entadamide B
CID 3035981
N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723361
N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
CID 146329216
3,3,3-trifluoro-N-(2-hydroxypropyl)propanamide
CID 43419310
1,1,1-Trifluoro-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 61529703
3,3,3-trifluoro-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030341
3,3,3-trifluoro-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031574
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103706056
2-tert-butylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723056
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723214
2-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723390
3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide (CID 103769619) is N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide is CSCCC(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide?
The InChIKey is LCOVDYPWJASFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-13-3-2-6(12)10-4-5(11)7(8)9/h5,7,11H,2-4H2,1H3,(H,10,12).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide has a molecular weight of 213.25 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 103769619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).