(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate

C6H11NO5S — CID 20616677

IUPAC(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate
SMILESCN1CC(COS(C)(=O)=O)OC1=O
InChIInChI=1S/C6H11NO5S/c1-7-3-5(12-6(7)8)4-11-13(2,9)10/h5H,3-4H2,1-2H3
InChIKeyVMAJSAOBXUBPQH-UHFFFAOYSA-N
MW209.22 g/mol
LogP-0.59
Rot. Bonds3

About (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate

(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate (PubChem CID 20616677) has the molecular formula C6H11NO5S and a molecular weight of 209.22 g/mol. Its IUPAC name is (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate.

Molecular Properties

Compound Name(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate
PubChem CID20616677
Molecular FormulaC6H11NO5S
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate
SMILESCN1CC(COS(C)(=O)=O)OC1=O
InChIInChI=1S/C6H11NO5S/c1-7-3-5(12-6(7)8)4-11-13(2,9)10/h5H,3-4H2,1-2H3
InChIKeyVMAJSAOBXUBPQH-UHFFFAOYSA-N
XLogP-0.59
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 59735300
[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 14368941
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
[(5R)-3-(4-methylthiophen-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 86590239
[(5R)-3-(3,5-difluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 25133625
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
(5S)-3-methyl-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 59010162
(5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67918701
(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 118216515
[(5R)-3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 87822785
[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate
CID 23256085
[(5R)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 154776170

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate?
The IUPAC name of (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate (CID 20616677) is (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate.
What is the SMILES notation for (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate?
The canonical SMILES for (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate is CN1CC(COS(C)(=O)=O)OC1=O.
What is the InChIKey of (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate?
The InChIKey is VMAJSAOBXUBPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5S/c1-7-3-5(12-6(7)8)4-11-13(2,9)10/h5H,3-4H2,1-2H3.
What are the key properties of (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate?
(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate has a molecular weight of 209.22 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate is sourced from PubChem (CID 20616677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).