N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide

C6H10F3NO3S — CID 10681127

IUPACN-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide
SMILESCCN(C[C@H]1CO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-2-10(3-5-4-13-5)14(11,12)6(7,8)9/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyQWTJXUCWCJMLQE-YFKPBYRVSA-N
MW233.21 g/mol
LogP0.56
Rot. Bonds4

About N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide

N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide (PubChem CID 10681127) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide
PubChem CID10681127
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC NameN-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide
SMILESCCN(C[C@H]1CO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-2-10(3-5-4-13-5)14(11,12)6(7,8)9/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyQWTJXUCWCJMLQE-YFKPBYRVSA-N
XLogP0.56
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,3-heptafluoro-N-methyl-N-(oxiran-2-ylmethyl)propane-1-sulfonamide
CID 86225
Trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium
CID 23088867
n-Glycidyl-n-methylperfluorobutanesulfonamide
CID 86614459
Trifluoromethanesulfonic acid;trimethyl(oxiran-2-ylmethyl)azanium
CID 87208350
1,1,1-trifluoro-N-methyl-N-(oxiran-2-ylmethyl)methanesulfonamide
CID 87591845
1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(oxiran-2-ylmethyl)butane-1-sulfonamide
CID 89120030
Bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium
CID 140912345
Bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-(oxiran-2-ylmethyl)azanium
CID 141357939
Bis(trifluoromethylsulfonyl)azanide;triethyl(oxiran-2-ylmethyl)azanium
CID 141471733
Bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-(oxiran-2-ylmethyl)azanium
CID 141624252
2-Methyl-4-(trifluoromethylsulfonyl)morpholine
CID 166683997
N-(cyclopropylmethyl)-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide
CID 11097272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide (CID 10681127) is N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide is CCN(C[C@H]1CO1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide?
The InChIKey is QWTJXUCWCJMLQE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c1-2-10(3-5-4-13-5)14(11,12)6(7,8)9/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide?
N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide has a molecular weight of 233.21 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 10681127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).