2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C9H18N2O4S — CID 79887117

IUPAC2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCOC(CN)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-4-15-7(5-10)6-11-8(12)9(2,3)16(11,13)14/h7H,4-6,10H2,1-3H3
InChIKeyDQTMFHLFIZWBNQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.70
Rot. Bonds5

About 2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79887117) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79887117
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCOC(CN)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-4-15-7(5-10)6-11-8(12)9(2,3)16(11,13)14/h7H,4-6,10H2,1-3H3
InChIKeyDQTMFHLFIZWBNQ-UHFFFAOYSA-N
XLogP-0.70
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-2-ethoxypropyl)-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-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79887117) is 2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CCOC(CN)CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is DQTMFHLFIZWBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-4-15-7(5-10)6-11-8(12)9(2,3)16(11,13)14/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 250.32 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79887117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).