3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide

C11H20N2O4S — CID 64891148

IUPAC3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide
SMILESCCN(C(=O)C1(N)CCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c1-2-13(9-3-6-18(15,16)7-9)10(14)11(12)4-5-17-8-11/h9H,2-8,12H2,1H3
InChIKeyUTQGZKCASRLYEA-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.86
Rot. Bonds3

About 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide

3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide (PubChem CID 64891148) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide
PubChem CID64891148
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide
SMILESCCN(C(=O)C1(N)CCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c1-2-13(9-3-6-18(15,16)7-9)10(14)11(12)4-5-17-8-11/h9H,2-8,12H2,1H3
InChIKeyUTQGZKCASRLYEA-UHFFFAOYSA-N
XLogP-0.86
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)oxane-4-carboxamide
CID 115294208
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
CID 115452794
3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892755
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
CID 64892703
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115439230
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
CID 63335117
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxolane-3-carboxylic acid
CID 55056654
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide (CID 64891148) is 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide is CCN(C(=O)C1(N)CCOC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide?
The InChIKey is UTQGZKCASRLYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-2-13(9-3-6-18(15,16)7-9)10(14)11(12)4-5-17-8-11/h9H,2-8,12H2,1H3.
What are the key properties of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide?
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide is sourced from PubChem (CID 64891148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).