azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one

C10H10N2O4S — CID 175360764

IUPACazetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1CCN1.O=C1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C7H5NO3S.C3H5NO/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;5-3-1-2-4-3/h1-4H,(H,8,9);1-2H2,(H,4,5)
InChIKeyYZOJDQKMPIOYON-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.38
Rot. Bonds

About azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one

azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 175360764) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Nameazetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID175360764
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Nameazetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1CCN1.O=C1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C7H5NO3S.C3H5NO/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;5-3-1-2-4-3/h1-4H,(H,8,9);1-2H2,(H,4,5)
InChIKeyYZOJDQKMPIOYON-UHFFFAOYSA-N
XLogP-0.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-1,2-benzothiazol-3-one;hydron
CID 135264124
1,1-dioxo-1,2-benzothiazol-3-one;iron
CID 175330188
1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 66978509
copper(1+);1,1-dioxo-1,2-benzothiazol-3-one
CID 23615957
1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt
CID 69118459
CID 67677158
CID 67677158
sodium;1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 18324648
tris(1,1-dioxo-1,2-benzothiazol-3-one);iron;hydrate
CID 66878202
pentacosasodium;1,1-dioxo-1,2-benzothiazol-3-one;hydride
CID 173439945
1,1-dioxo-1,2-benzothiazol-3-one;iron;zinc
CID 175249806
CID 174881995
CID 174881995
disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride
CID 174471763

Frequently Asked Questions

What is the IUPAC name of azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one (CID 175360764) is azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one is O=C1CCN1.O=C1NS(=O)(=O)c2ccccc21.
What is the InChIKey of azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is YZOJDQKMPIOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S.C3H5NO/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;5-3-1-2-4-3/h1-4H,(H,8,9);1-2H2,(H,4,5).
What are the key properties of azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one?
azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 254.27 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-one;1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 175360764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).