2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C9H15NO4S — CID 104550262

IUPAC2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC2CC(O)C2)S1(=O)=O
InChIInChI=1S/C9H15NO4S/c1-9(2)8(12)10(15(9,13)14)5-6-3-7(11)4-6/h6-7,11H,3-5H2,1-2H3
InChIKeyZGRGUFGATJDYNM-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.29
Rot. Bonds2

About 2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 104550262) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID104550262
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC2CC(O)C2)S1(=O)=O
InChIInChI=1S/C9H15NO4S/c1-9(2)8(12)10(15(9,13)14)5-6-3-7(11)4-6/h6-7,11H,3-5H2,1-2H3
InChIKeyZGRGUFGATJDYNM-UHFFFAOYSA-N
XLogP-0.29
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
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-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 104550262) is 2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(CC2CC(O)C2)S1(=O)=O.
What is the InChIKey of 2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is ZGRGUFGATJDYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-9(2)8(12)10(15(9,13)14)5-6-3-7(11)4-6/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 233.29 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-[(3-hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 104550262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).