(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide

C11H19F3N2O4S — CID 129432314

IUPAC(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide
SMILESC[C@@H](C(=O)NS(=O)(=O)[C@@H]1CCCOC1)N(C)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O4S/c1-8(16(2)7-11(12,13)14)10(17)15-21(18,19)9-4-3-5-20-6-9/h8-9H,3-7H2,1-2H3,(H,15,17)/t8-,9+/m0/s1
InChIKeyASUIVJUPHJSZGC-DTWKUNHWSA-N
MW332.34 g/mol
LogP0.49
Rot. Bonds5

About (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide

(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide (PubChem CID 129432314) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide
PubChem CID129432314
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide
SMILESC[C@@H](C(=O)NS(=O)(=O)[C@@H]1CCCOC1)N(C)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O4S/c1-8(16(2)7-11(12,13)14)10(17)15-21(18,19)9-4-3-5-20-6-9/h8-9H,3-7H2,1-2H3,(H,15,17)/t8-,9+/m0/s1
InChIKeyASUIVJUPHJSZGC-DTWKUNHWSA-N
XLogP0.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yloxane-3-sulfonamide
CID 130684869
[(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate
CID 100909747
N-methyloxane-3-sulfonamide
CID 69039393
N-[2-(methylamino)propyl]oxane-3-sulfonamide
CID 120877056
3-cyclobutyl-N-(oxolan-3-ylsulfonyl)propanamide
CID 136513042
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
CID 107138212
2-(oxan-3-ylsulfonyl)butanoic acid
CID 107134773
N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride
CID 120874902
(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809
(2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid
CID 107774971

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide?
The IUPAC name of (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide (CID 129432314) is (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide.
What is the SMILES notation for (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide?
The canonical SMILES for (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide is C[C@@H](C(=O)NS(=O)(=O)[C@@H]1CCCOC1)N(C)CC(F)(F)F.
What is the InChIKey of (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide?
The InChIKey is ASUIVJUPHJSZGC-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-8(16(2)7-11(12,13)14)10(17)15-21(18,19)9-4-3-5-20-6-9/h8-9H,3-7H2,1-2H3,(H,15,17)/t8-,9+/m0/s1.
What are the key properties of (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide?
(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide has a molecular weight of 332.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide is sourced from PubChem (CID 129432314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).