2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide

C8H16N2O3S — CID 82040848

IUPAC2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-2-10(5-8(9)11)7-3-4-14(12,13)6-7/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyXXJUWROMEDYRFR-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.02
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide

2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide (PubChem CID 82040848) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
PubChem CID82040848
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-2-10(5-8(9)11)7-3-4-14(12,13)6-7/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyXXJUWROMEDYRFR-UHFFFAOYSA-N
XLogP-1.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide
CID 94453620
1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone
CID 108996130
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 61198992
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbutanediamide
CID 60939371
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013810
2-[(1,1-dioxothiolan-3-yl)-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60838538
2-[(1,1-dioxothiolan-3-yl)-heptylamino]acetic acid
CID 60840580
(3S)-N-[(4-aminophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 93463712
1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol
CID 112501231
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide (CID 82040848) is 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide is CCN(CC(N)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide?
The InChIKey is XXJUWROMEDYRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-10(5-8(9)11)7-3-4-14(12,13)6-7/h7H,2-6H2,1H3,(H2,9,11).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide?
2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide has a molecular weight of 220.29 g/mol, XLogP of -1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide is sourced from PubChem (CID 82040848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).