4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one

C9H15NO4S — CID 105492913

IUPAC4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(C2CCS(=O)(=O)CC2)COC(=O)N1
InChIInChI=1S/C9H15NO4S/c1-9(6-14-8(11)10-9)7-2-4-15(12,13)5-3-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyMZSRQDDCMMFJFI-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.31
Rot. Bonds1

About 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one

4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 105492913) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID105492913
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(C2CCS(=O)(=O)CC2)COC(=O)N1
InChIInChI=1S/C9H15NO4S/c1-9(6-14-8(11)10-9)7-2-4-15(12,13)5-3-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyMZSRQDDCMMFJFI-UHFFFAOYSA-N
XLogP0.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
CID 124509752
6-(1,1-dioxothian-4-yl)-6-methylmorpholin-3-one
CID 117159020
(1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one
CID 1268134
4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one
CID 86665538
6,6,8,8-tetramethyl-3,7-dioxa-1-azaspiro[4.4]nonan-2-one
CID 79934597
4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 67411819
5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 154743155
(1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one
CID 11819992
4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide
CID 117226211
4-cyclopropyl-4-methylimidazolidin-2-one
CID 105428121
1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine
CID 84671818
4-ethyl-4-hydroxy-1,3-oxazolidin-2-one
CID 19933761

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one (CID 105492913) is 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one is CC1(C2CCS(=O)(=O)CC2)COC(=O)N1.
What is the InChIKey of 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is MZSRQDDCMMFJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-9(6-14-8(11)10-9)7-2-4-15(12,13)5-3-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one?
4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 233.29 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 105492913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).