2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C8H15NO5S — CID 104550709

IUPAC2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(CO)(CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H15NO5S/c1-7(2)6(12)9(15(7,13)14)8(3,4-10)5-11/h10-11H,4-5H2,1-3H3
InChIKeyQQMNXJSGPZYPKL-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.32
Rot. Bonds3

About 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 104550709) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID104550709
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(CO)(CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H15NO5S/c1-7(2)6(12)9(15(7,13)14)8(3,4-10)5-11/h10-11H,4-5H2,1-3H3
InChIKeyQQMNXJSGPZYPKL-UHFFFAOYSA-N
XLogP-1.32
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 104550709) is 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC(CO)(CO)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is QQMNXJSGPZYPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-7(2)6(12)9(15(7,13)14)8(3,4-10)5-11/h10-11H,4-5H2,1-3H3.
What are the key properties of 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 237.28 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 104550709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).