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

C8H15NO4S — CID 104549057

IUPAC2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(C)(CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H15NO4S/c1-7(2,5-10)9-6(11)8(3,4)14(9,12)13/h10H,5H2,1-4H3
InChIKeyQIIOVWLUISFOJA-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.29
Rot. Bonds2

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

2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 104549057) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID104549057
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(C)(CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H15NO4S/c1-7(2,5-10)9-6(11)8(3,4)14(9,12)13/h10H,5H2,1-4H3
InChIKeyQIIOVWLUISFOJA-UHFFFAOYSA-N
XLogP-0.29
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 104549057) is 2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC(C)(CO)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is QIIOVWLUISFOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-7(2,5-10)9-6(11)8(3,4)14(9,12)13/h10H,5H2,1-4H3.
What are the key properties of 2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 221.28 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 104549057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).