5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one

C8H13NO4S — CID 117158781

IUPAC5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C2CCCCS2(=O)=O)O1
InChIInChI=1S/C8H13NO4S/c10-8-9-5-6(13-8)7-3-1-2-4-14(7,11)12/h6-7H,1-5H2,(H,9,10)
InChIKeyKFLDRTAYSNKNCZ-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.06
Rot. Bonds1

About 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one

5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one (PubChem CID 117158781) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one
PubChem CID117158781
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C2CCCCS2(=O)=O)O1
InChIInChI=1S/C8H13NO4S/c10-8-9-5-6(13-8)7-3-1-2-4-14(7,11)12/h6-7H,1-5H2,(H,9,10)
InChIKeyKFLDRTAYSNKNCZ-UHFFFAOYSA-N
XLogP0.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aS,9aS)-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[e][1,3]oxazin-2-one
CID 131027015
5-(thiolan-2-yl)-1,3-oxazolidin-2-one
CID 117158776
5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one
CID 130596283
2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
CID 117269689
2-(azepan-2-yl)thiane 1,1-dioxide
CID 104517922
[4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol
CID 117270509
(5S)-5-amino-1,3-oxazolidin-2-one
CID 141300678
5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-d][1,3]oxazol-2-one
CID 134811442
5-(2-cyclobutylpropan-2-yl)-1,3-oxazolidin-2-one
CID 57185315
N-cyclopentyl-1,1-dioxo-4a,5,6,7,8,8a-hexahydrobenzo[e][1,4,3]oxathiazin-3-imine
CID 136941789
(3aS,6aR)-3,3a,6,6a-tetrahydrocyclopenta[d][1,3]oxazol-2-one
CID 101213262
2-cyclopentyl-1,4-thiazinane 1,1-dioxide
CID 173061390

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one (CID 117158781) is 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one is O=C1NCC(C2CCCCS2(=O)=O)O1.
What is the InChIKey of 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is KFLDRTAYSNKNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c10-8-9-5-6(13-8)7-3-1-2-4-14(7,11)12/h6-7H,1-5H2,(H,9,10).
What are the key properties of 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one?
5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 219.26 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).