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

C9H17NO4S — CID 104549670

IUPAC2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCC(C)(CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C9H17NO4S/c1-5-9(4,6-11)10-7(12)8(2,3)15(10,13)14/h11H,5-6H2,1-4H3
InChIKeyWPTZHSKECNLNEW-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.10
Rot. Bonds3

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

2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 104549670) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID104549670
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCC(C)(CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C9H17NO4S/c1-5-9(4,6-11)10-7(12)8(2,3)15(10,13)14/h11H,5-6H2,1-4H3
InChIKeyWPTZHSKECNLNEW-UHFFFAOYSA-N
XLogP0.10
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Hydroxybutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549027
2-(1-Hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549057
2-[3-(Hydroxymethyl)pentan-3-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549401
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550460
2-(1-Hydroxy-3-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550496
2-(1,3-Dihydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550709
2-(1-Hydroxy-3-methylpentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106172452
2-(3-Hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106186849
2-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 107849829
2-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 107861612
2-[(2R)-1-hydroxybutan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 107861683
2-[1-Hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 107866937

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 104549670) is 2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CCC(C)(CO)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is WPTZHSKECNLNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-5-9(4,6-11)10-7(12)8(2,3)15(10,13)14/h11H,5-6H2,1-4H3.
What are the key properties of 2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 235.30 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 104549670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).