2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C8H14F3NO4S — CID 103755817

IUPAC2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)(C(=O)NCC(O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C8H14F3NO4S/c1-7(2,17(3,15)16)6(14)12-4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)
InChIKeyZQRKZXNQLVGYGX-UHFFFAOYSA-N
MW277.26 g/mol
LogP-0.15
Rot. Bonds4

About 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103755817) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103755817
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)(C(=O)NCC(O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C8H14F3NO4S/c1-7(2,17(3,15)16)6(14)12-4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)
InChIKeyZQRKZXNQLVGYGX-UHFFFAOYSA-N
XLogP-0.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-0.15
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-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
CID 79552276
1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-3-carboxamide
CID 103723007
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723214
3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726145
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730688
N-(3,3-difluoro-2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 103769878

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103755817) is 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CC(C)(C(=O)NCC(O)C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is ZQRKZXNQLVGYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-7(2,17(3,15)16)6(14)12-4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14).
What are the key properties of 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 277.26 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103755817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).