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

C7H13F2NO4S — CID 103770024

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC(O)C(F)F)S(C)(=O)=O
InChIInChI=1S/C7H13F2NO4S/c1-4(15(2,13)14)7(12)10-3-5(11)6(8)9/h4-6,11H,3H2,1-2H3,(H,10,12)
InChIKeyRCTMXNVOXBNCLE-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.84
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide (PubChem CID 103770024) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide
PubChem CID103770024
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC(O)C(F)F)S(C)(=O)=O
InChIInChI=1S/C7H13F2NO4S/c1-4(15(2,13)14)7(12)10-3-5(11)6(8)9/h4-6,11H,3H2,1-2H3,(H,10,12)
InChIKeyRCTMXNVOXBNCLE-UHFFFAOYSA-N
XLogP-0.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Hydroxy-3-sulfopropyl)-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azanium
CID 130266557
(2-Hydroxy-3-sulfopropyl)-dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266617
3-[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate
CID 140799751
3-[Dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azaniumyl]-2-hydroxypropane-1-sulfonate
CID 140799765
3-[dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azaniumyl]-2-hydroxypropane-1-sulfonate;1-fluoro-N,N-dimethylmethanamine
CID 158966566
1,1,1-Trifluoro-3-(2-methylsulfonylethylamino)propan-2-ol
CID 63900449
1,1,1-Trifluoro-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 63901893
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
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726145
3-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726229

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide (CID 103770024) is N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide is CC(C(=O)NCC(O)C(F)F)S(C)(=O)=O.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide?
The InChIKey is RCTMXNVOXBNCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-4(15(2,13)14)7(12)10-3-5(11)6(8)9/h4-6,11H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide has a molecular weight of 245.25 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 103770024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).