2-(1,1-dioxothiolan-3-yl)oxyethanamine

C6H13NO3S — CID 62343436

IUPAC2-(1,1-dioxothiolan-3-yl)oxyethanamine
SMILESNCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO3S/c7-2-3-10-6-1-4-11(8,9)5-6/h6H,1-5,7H2
InChIKeyOBHIZMQAJMIPBE-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.85
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)oxyethanamine

2-(1,1-dioxothiolan-3-yl)oxyethanamine (PubChem CID 62343436) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)oxyethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)oxyethanamine
PubChem CID62343436
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-(1,1-dioxothiolan-3-yl)oxyethanamine
SMILESNCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO3S/c7-2-3-10-6-1-4-11(8,9)5-6/h6H,1-5,7H2
InChIKeyOBHIZMQAJMIPBE-UHFFFAOYSA-N
XLogP-0.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)oxyethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)oxyethanamine (CID 62343436) is 2-(1,1-dioxothiolan-3-yl)oxyethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)oxyethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)oxyethanamine is NCCOC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)oxyethanamine?
The InChIKey is OBHIZMQAJMIPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c7-2-3-10-6-1-4-11(8,9)5-6/h6H,1-5,7H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)oxyethanamine?
2-(1,1-dioxothiolan-3-yl)oxyethanamine has a molecular weight of 179.24 g/mol, XLogP of -0.85, 3 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)oxyethanamine is sourced from PubChem (CID 62343436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).