methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate

C9H10F3NO4S2 — CID 57362484

IUPACmethyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate
SMILESCOC(=O)[C@](NS(C)(=O)=O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C9H10F3NO4S2/c1-17-7(14)8(9(10,11)12,13-19(2,15)16)6-4-3-5-18-6/h3-5,13H,1-2H3/t8-/m1/s1
InChIKeyAQCKFAHYVRNFQH-MRVPVSSYSA-N
MW317.31 g/mol
LogP1.23
Rot. Bonds4

About methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate

methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate (PubChem CID 57362484) has the molecular formula C9H10F3NO4S2 and a molecular weight of 317.31 g/mol. Its IUPAC name is methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate
PubChem CID57362484
Molecular FormulaC9H10F3NO4S2
Molecular Weight317.31 g/mol
Exact Mass317.00
IUPAC Namemethyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate
SMILESCOC(=O)[C@](NS(C)(=O)=O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C9H10F3NO4S2/c1-17-7(14)8(9(10,11)12,13-19(2,15)16)6-4-3-5-18-6/h3-5,13H,1-2H3/t8-/m1/s1
InChIKeyAQCKFAHYVRNFQH-MRVPVSSYSA-N
XLogP1.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,3,3-trifluoro-2-hydroxy-2-(thiophen-2-ylsulfonylamino)propanoate
CID 3619840
methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate
CID 118798449
4,4,4-trifluoro-3-hydroxy-3-thiophen-2-ylbutan-2-one
CID 71067149
methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate
CID 10585413
dimethyl (2R)-3-diazo-2-hydroxy-2-thiophen-2-ylbutanedioate
CID 164683814
methyl 2-(2-bromophenyl)-2-hydroxy-2-thiophen-2-ylacetate
CID 171477878
methyl (2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-thiophen-2-ylpropanoate
CID 18663502
methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
CID 115128321
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene
CID 15711447
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702
methyl (2S)-2-(benzenesulfonamido)-3,3,3-trifluoro-2-(2-methyl-1H-indol-3-yl)propanoate
CID 121233496

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate?
The IUPAC name of methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate (CID 57362484) is methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate?
The canonical SMILES for methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate is COC(=O)[C@](NS(C)(=O)=O)(c1cccs1)C(F)(F)F.
What is the InChIKey of methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate?
The InChIKey is AQCKFAHYVRNFQH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F3NO4S2/c1-17-7(14)8(9(10,11)12,13-19(2,15)16)6-4-3-5-18-6/h3-5,13H,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate?
methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate has a molecular weight of 317.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3,3,3-trifluoro-2-(methanesulfonamido)-2-thiophen-2-ylpropanoate is sourced from PubChem (CID 57362484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).