(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one

C7H13NO2S — CID 11992678

IUPAC(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSN1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C7H13NO2S/c1-5(2)6-4-10-7(9)8(6)11-3/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyRUNALCGPGXKPNG-LURJTMIESA-N
MW175.25 g/mol
LogP1.74
Rot. Bonds2

About (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11992678) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11992678
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSN1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C7H13NO2S/c1-5(2)6-4-10-7(9)8(6)11-3/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyRUNALCGPGXKPNG-LURJTMIESA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11992678) is (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one is CSN1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RUNALCGPGXKPNG-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5(2)6-4-10-7(9)8(6)11-3/h5-6H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11992678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).