(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide

C5H9F3N2O3S — CID 167049068

IUPAC(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
SMILESCC1O[C@H](C(F)(F)F)CN1S(N)(=O)=O
InChIInChI=1S/C5H9F3N2O3S/c1-3-10(14(9,11)12)2-4(13-3)5(6,7)8/h3-4H,2H2,1H3,(H2,9,11,12)/t3?,4-/m0/s1
InChIKeyWBDLDUTUUUAGAQ-BKLSDQPFSA-N
MW234.20 g/mol
LogP-0.20
Rot. Bonds1

About (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide

(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide (PubChem CID 167049068) has the molecular formula C5H9F3N2O3S and a molecular weight of 234.20 g/mol. Its IUPAC name is (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide.

Molecular Properties

Compound Name(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
PubChem CID167049068
Molecular FormulaC5H9F3N2O3S
Molecular Weight234.20 g/mol
Exact Mass234.03
IUPAC Name(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
SMILESCC1O[C@H](C(F)(F)F)CN1S(N)(=O)=O
InChIInChI=1S/C5H9F3N2O3S/c1-3-10(14(9,11)12)2-4(13-3)5(6,7)8/h3-4H,2H2,1H3,(H2,9,11,12)/t3?,4-/m0/s1
InChIKeyWBDLDUTUUUAGAQ-BKLSDQPFSA-N
XLogP-0.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine
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4-hydroxy-2-methylpyrrolidine-1-sulfonamide
CID 131201314
3-amino-5-(trifluoromethyl)-1,3-oxazolidin-2-one
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1-[(2S,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 176677064
2-(aminomethyl)-5-methylmorpholine-4-sulfonamide
CID 114959630
4-(trifluoromethyl)piperidine-1-sulfonamide
CID 58349803
3,5-dimethylpiperidine-1-sulfonamide
CID 43132027
2-methyl-1,4-diazepane-1-sulfonamide
CID 130848433
3-fluoroazetidine-1-sulfonamide
CID 70347983

Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide?
The IUPAC name of (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide (CID 167049068) is (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide.
What is the SMILES notation for (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide?
The canonical SMILES for (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide is CC1O[C@H](C(F)(F)F)CN1S(N)(=O)=O.
What is the InChIKey of (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide?
The InChIKey is WBDLDUTUUUAGAQ-BKLSDQPFSA-N. The full InChI is InChI=1S/C5H9F3N2O3S/c1-3-10(14(9,11)12)2-4(13-3)5(6,7)8/h3-4H,2H2,1H3,(H2,9,11,12)/t3?,4-/m0/s1.
What are the key properties of (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide?
(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide has a molecular weight of 234.20 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide is sourced from PubChem (CID 167049068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).