N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H25NO5S — CID 115949711

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOCCN(C(=O)COC(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H25NO5S/c1-13(2,3)19-9-12(15)14(6-7-18-4)11-5-8-20(16,17)10-11/h11H,5-10H2,1-4H3
InChIKeyXDOIONGKWXXZTL-UHFFFAOYSA-N
MW307.41 g/mol
LogP0.46
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115949711) has the molecular formula C13H25NO5S and a molecular weight of 307.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115949711
Molecular FormulaC13H25NO5S
Molecular Weight307.41 g/mol
Exact Mass307.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOCCN(C(=O)COC(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H25NO5S/c1-13(2,3)19-9-12(15)14(6-7-18-4)11-5-8-20(16,17)10-11/h11H,5-10H2,1-4H3
InChIKeyXDOIONGKWXXZTL-UHFFFAOYSA-N
XLogP0.46
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-tert-butyl-N'-(1,1-dioxothiolan-3-yl)-N-ethyl-N'-(2-methoxyethyl)oxamide
CID 108527290
2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
CID 64685282
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
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
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62727218
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60937621
[2-[[(3S)-1,1-dioxothiolan-3-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8631913

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115949711) is N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is COCCN(C(=O)COC(C)(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is XDOIONGKWXXZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S/c1-13(2,3)19-9-12(15)14(6-7-18-4)11-5-8-20(16,17)10-11/h11H,5-10H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 307.41 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115949711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).