4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide

C12H22N2O5S — CID 66240464

IUPAC4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide
SMILESCOCCN(C(=O)C1COCC1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O5S/c1-18-4-3-14(9-2-5-20(16,17)8-9)12(15)10-6-19-7-11(10)13/h9-11H,2-8,13H2,1H3
InChIKeyJLXCTUXTQQHUFH-UHFFFAOYSA-N
MW306.38 g/mol
LogP-1.38
Rot. Bonds5

About 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide

4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide (PubChem CID 66240464) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide
PubChem CID66240464
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide
SMILESCOCCN(C(=O)C1COCC1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O5S/c1-18-4-3-14(9-2-5-20(16,17)8-9)12(15)10-6-19-7-11(10)13/h9-11H,2-8,13H2,1H3
InChIKeyJLXCTUXTQQHUFH-UHFFFAOYSA-N
XLogP-1.38
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynyloxolane-3-carboxamide
CID 66237665
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79389242
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60937621
4-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992822
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63005577
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 60937739
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)azepane-2-carboxamide
CID 64562839

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide (CID 66240464) is 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide is COCCN(C(=O)C1COCC1N)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide?
The InChIKey is JLXCTUXTQQHUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-18-4-3-14(9-2-5-20(16,17)8-9)12(15)10-6-19-7-11(10)13/h9-11H,2-8,13H2,1H3.
What are the key properties of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide?
4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide has a molecular weight of 306.38 g/mol, XLogP of -1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66240464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).