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

C12H24N2O4S — CID 79886354

IUPAC2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCOCCCCNCCN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-4-18-10-6-5-7-13-8-9-14-11(15)12(2,3)19(14,16)17/h13H,4-10H2,1-3H3
InChIKeyNULHRQPUZMUSMX-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.34
Rot. Bonds9

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

2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886354) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886354
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCOCCCCNCCN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-4-18-10-6-5-7-13-8-9-14-11(15)12(2,3)19(14,16)17/h13H,4-10H2,1-3H3
InChIKeyNULHRQPUZMUSMX-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.34
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-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886354) is 2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CCOCCCCNCCN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is NULHRQPUZMUSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-18-10-6-5-7-13-8-9-14-11(15)12(2,3)19(14,16)17/h13H,4-10H2,1-3H3.
What are the key properties of 2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 292.40 g/mol, XLogP of 0.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).