4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one

C7H11NO2S2 — CID 15630906

IUPAC4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CC2SCCS2)CO1
InChIInChI=1S/C7H11NO2S2/c9-7-8-5(4-10-7)3-6-11-1-2-12-6/h5-6H,1-4H2,(H,8,9)
InChIKeyRFRHJEOLUNWZAY-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.29
Rot. Bonds2

About 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one

4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 15630906) has the molecular formula C7H11NO2S2 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID15630906
Molecular FormulaC7H11NO2S2
Molecular Weight205.30 g/mol
Exact Mass205.02
IUPAC Name4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CC2SCCS2)CO1
InChIInChI=1S/C7H11NO2S2/c9-7-8-5(4-10-7)3-6-11-1-2-12-6/h5-6H,1-4H2,(H,8,9)
InChIKeyRFRHJEOLUNWZAY-UHFFFAOYSA-N
XLogP1.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one (CID 15630906) is 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one is O=C1NC(CC2SCCS2)CO1.
What is the InChIKey of 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is RFRHJEOLUNWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S2/c9-7-8-5(4-10-7)3-6-11-1-2-12-6/h5-6H,1-4H2,(H,8,9).
What are the key properties of 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one?
4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 205.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15630906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).