ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate

C11H21NO5S — CID 103242576

IUPACethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO5S/c1-2-17-11(13)8-16-5-4-12-7-10-3-6-18(14,15)9-10/h10,12H,2-9H2,1H3
InChIKeySUWIGNGJPICWLX-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.41
Rot. Bonds8

About ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate

ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate (PubChem CID 103242576) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate
PubChem CID103242576
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nameethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO5S/c1-2-17-11(13)8-16-5-4-12-7-10-3-6-18(14,15)9-10/h10,12H,2-9H2,1H3
InChIKeySUWIGNGJPICWLX-UHFFFAOYSA-N
XLogP-0.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 103237731
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N-[(1,1-dioxothiolan-3-yl)methyl]pentan-1-amine
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1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-one
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ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
CID 103265382
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol
CID 63928167
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
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N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
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CID 166884865

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate (CID 103242576) is ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate is CCOC(=O)COCCNCC1CCS(=O)(=O)C1.
What is the InChIKey of ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate?
The InChIKey is SUWIGNGJPICWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-2-17-11(13)8-16-5-4-12-7-10-3-6-18(14,15)9-10/h10,12H,2-9H2,1H3.
What are the key properties of ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate?
ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate has a molecular weight of 279.36 g/mol, XLogP of -0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate is sourced from PubChem (CID 103242576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).