1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine

C7H15NO2S — CID 83906231

IUPAC1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine
SMILESCC(N)C1CC(C)S(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-5-3-7(6(2)8)4-11(5,9)10/h5-7H,3-4,8H2,1-2H3
InChIKeyJRYNKLCCXZIWIJ-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.16
Rot. Bonds1

About 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine

1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine (PubChem CID 83906231) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine
PubChem CID83906231
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine
SMILESCC(N)C1CC(C)S(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-5-3-7(6(2)8)4-11(5,9)10/h5-7H,3-4,8H2,1-2H3
InChIKeyJRYNKLCCXZIWIJ-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine?
The IUPAC name of 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine (CID 83906231) is 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine is CC(N)C1CC(C)S(=O)(=O)C1.
What is the InChIKey of 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine?
The InChIKey is JRYNKLCCXZIWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-5-3-7(6(2)8)4-11(5,9)10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine?
1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine has a molecular weight of 177.27 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,1-dioxothiolan-3-yl)ethanamine is sourced from PubChem (CID 83906231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).