2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C8H15NO5S — CID 79886166

IUPAC2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CCOCCO)S1(=O)=O
InChIInChI=1S/C8H15NO5S/c1-8(2)7(11)9(15(8,12)13)3-5-14-6-4-10/h10H,3-6H2,1-2H3
InChIKeyHWNDIHTZBNNWDE-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.05
Rot. Bonds5

About 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886166) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886166
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CCOCCO)S1(=O)=O
InChIInChI=1S/C8H15NO5S/c1-8(2)7(11)9(15(8,12)13)3-5-14-6-4-10/h10H,3-6H2,1-2H3
InChIKeyHWNDIHTZBNNWDE-UHFFFAOYSA-N
XLogP-1.05
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886166) is 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(CCOCCO)S1(=O)=O.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is HWNDIHTZBNNWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-8(2)7(11)9(15(8,12)13)3-5-14-6-4-10/h10H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 237.28 g/mol, XLogP of -1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).