1,3-oxazolidin-5-one;sulfane

C3H7NO2S — CID 159369202

IUPAC1,3-oxazolidin-5-one;sulfane
SMILESO=C1CNCO1.S
InChIInChI=1S/C3H5NO2.H2S/c5-3-1-4-2-6-3;/h4H,1-2H2;1H2
InChIKeyHIFAINDEDHAHPW-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.80
Rot. Bonds

About 1,3-oxazolidin-5-one;sulfane

1,3-oxazolidin-5-one;sulfane (PubChem CID 159369202) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is 1,3-oxazolidin-5-one;sulfane.

Molecular Properties

Compound Name1,3-oxazolidin-5-one;sulfane
PubChem CID159369202
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name1,3-oxazolidin-5-one;sulfane
SMILESO=C1CNCO1.S
InChIInChI=1S/C3H5NO2.H2S/c5-3-1-4-2-6-3;/h4H,1-2H2;1H2
InChIKeyHIFAINDEDHAHPW-UHFFFAOYSA-N
XLogP-0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan;1,3-oxazolidin-5-one
CID 174848359
1,3,5-dioxazinan-2-one
CID 150843215
5-methylidene-1,3-oxazolidine
CID 70580345
2-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 143678699
2,12-dihydroxy-2,12-dioxo-1,7-dioxa-4,10-diaza-2λ5,12λ5-diphosphacyclododecane-6,8-dione
CID 163691066
3,4,6,7-tetrahydro-2H-1,3-benzoxazine
CID 123762032
pyrrolidine-3,4-dione
CID 13027232
3,4-dihydro-2H-1,3-benzoxazine;hydrochloride
CID 137347673
1,4-dioxane-2,5-dione;methane
CID 160896103
aziridin-2-one
CID 158991665
(1R,5R)-3-azabicyclo[3.2.1]octan-8-one
CID 98052490
aziridine;oxepan-2-one
CID 170852282

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-5-one;sulfane?
The IUPAC name of 1,3-oxazolidin-5-one;sulfane (CID 159369202) is 1,3-oxazolidin-5-one;sulfane.
What is the SMILES notation for 1,3-oxazolidin-5-one;sulfane?
The canonical SMILES for 1,3-oxazolidin-5-one;sulfane is O=C1CNCO1.S.
What is the InChIKey of 1,3-oxazolidin-5-one;sulfane?
The InChIKey is HIFAINDEDHAHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.H2S/c5-3-1-4-2-6-3;/h4H,1-2H2;1H2.
What are the key properties of 1,3-oxazolidin-5-one;sulfane?
1,3-oxazolidin-5-one;sulfane has a molecular weight of 121.16 g/mol, XLogP of -0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-5-one;sulfane is sourced from PubChem (CID 159369202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).