[(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate

C10H13NO5S2 — CID 86590239

IUPAC[(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCc1csc(N2C[C@H](COS(C)(=O)=O)OC2=O)c1
InChIInChI=1S/C10H13NO5S2/c1-7-3-9(17-6-7)11-4-8(16-10(11)12)5-15-18(2,13)14/h3,6,8H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyCSVWPMOGGCKYHB-MRVPVSSYSA-N
MW291.35 g/mol
LogP1.36
Rot. Bonds4

About [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate

[(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate (PubChem CID 86590239) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
PubChem CID86590239
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name[(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCc1csc(N2C[C@H](COS(C)(=O)=O)OC2=O)c1
InChIInChI=1S/C10H13NO5S2/c1-7-3-9(17-6-7)11-4-8(16-10(11)12)5-15-18(2,13)14/h3,6,8H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyCSVWPMOGGCKYHB-MRVPVSSYSA-N
XLogP1.36
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 14368941
[(5R)-3-(3,5-difluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 25133625
(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate
CID 20616677
[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 59735300
[(5R)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 154776170
[3-[3,5-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 72659431
[(5R)-3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 87822785
[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 87130130
[(5R)-3-[3-fluoro-4-[4-fluoro-4-(methylsulfonyloxymethyl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 90160088
[3-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 22625666
[(5R)-3-[4-(3,6-dihydro-2H-pyran-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 90700530
[(5R)-3-(3-fluoro-4-imidazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 10760653

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The IUPAC name of [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate (CID 86590239) is [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate.
What is the SMILES notation for [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The canonical SMILES for [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate is Cc1csc(N2C[C@H](COS(C)(=O)=O)OC2=O)c1.
What is the InChIKey of [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The InChIKey is CSVWPMOGGCKYHB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-7-3-9(17-6-7)11-4-8(16-10(11)12)5-15-18(2,13)14/h3,6,8H,4-5H2,1-2H3/t8-/m1/s1.
What are the key properties of [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
[(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate has a molecular weight of 291.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate is sourced from PubChem (CID 86590239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).