2-(1,1-dioxothietan-3-yl)ethanamine

C5H11NO2S — CID 75525618

IUPAC2-(1,1-dioxothietan-3-yl)ethanamine
SMILESNCCC1CS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c6-2-1-5-3-9(7,8)4-5/h5H,1-4,6H2
InChIKeyWUZLHCPAXJNLGF-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.62
Rot. Bonds2

About 2-(1,1-dioxothietan-3-yl)ethanamine

2-(1,1-dioxothietan-3-yl)ethanamine (PubChem CID 75525618) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 2-(1,1-dioxothietan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothietan-3-yl)ethanamine
PubChem CID75525618
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name2-(1,1-dioxothietan-3-yl)ethanamine
SMILESNCCC1CS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c6-2-1-5-3-9(7,8)4-5/h5H,1-4,6H2
InChIKeyWUZLHCPAXJNLGF-UHFFFAOYSA-N
XLogP-0.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothietan-3-yl)ethanamine?
The IUPAC name of 2-(1,1-dioxothietan-3-yl)ethanamine (CID 75525618) is 2-(1,1-dioxothietan-3-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxothietan-3-yl)ethanamine?
The canonical SMILES for 2-(1,1-dioxothietan-3-yl)ethanamine is NCCC1CS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothietan-3-yl)ethanamine?
The InChIKey is WUZLHCPAXJNLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c6-2-1-5-3-9(7,8)4-5/h5H,1-4,6H2.
What are the key properties of 2-(1,1-dioxothietan-3-yl)ethanamine?
2-(1,1-dioxothietan-3-yl)ethanamine has a molecular weight of 149.21 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothietan-3-yl)ethanamine is sourced from PubChem (CID 75525618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).