2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H20N2O4S — CID 79887224

IUPAC2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCOCCNCCCN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-10(2)9(13)12(17(10,14)15)7-4-5-11-6-8-16-3/h11H,4-8H2,1-3H3
InChIKeyRUIXTRWBXJDIGC-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.44
Rot. Bonds7

About 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79887224) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79887224
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCOCCNCCCN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-10(2)9(13)12(17(10,14)15)7-4-5-11-6-8-16-3/h11H,4-8H2,1-3H3
InChIKeyRUIXTRWBXJDIGC-UHFFFAOYSA-N
XLogP-0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79887224) is 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is COCCNCCCN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is RUIXTRWBXJDIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2)9(13)12(17(10,14)15)7-4-5-11-6-8-16-3/h11H,4-8H2,1-3H3.
What are the key properties of 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 264.35 g/mol, XLogP of -0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79887224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).