1,1-dioxothiolan-2-amine

C4H9NO2S — CID 20509051

IUPAC1,1-dioxothiolan-2-amine
SMILESNC1CCCS1(=O)=O
InChIInChI=1S/C4H9NO2S/c5-4-2-1-3-8(4,6)7/h4H,1-3,5H2
InChIKeyIIIGXUANQZOIHI-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.52
Rot. Bonds

About 1,1-dioxothiolan-2-amine

1,1-dioxothiolan-2-amine (PubChem CID 20509051) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 1,1-dioxothiolan-2-amine.

Molecular Properties

Compound Name1,1-dioxothiolan-2-amine
PubChem CID20509051
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name1,1-dioxothiolan-2-amine
SMILESNC1CCCS1(=O)=O
InChIInChI=1S/C4H9NO2S/c5-4-2-1-3-8(4,6)7/h4H,1-3,5H2
InChIKeyIIIGXUANQZOIHI-UHFFFAOYSA-N
XLogP-0.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiolan-2-amine?
The IUPAC name of 1,1-dioxothiolan-2-amine (CID 20509051) is 1,1-dioxothiolan-2-amine.
What is the SMILES notation for 1,1-dioxothiolan-2-amine?
The canonical SMILES for 1,1-dioxothiolan-2-amine is NC1CCCS1(=O)=O.
What is the InChIKey of 1,1-dioxothiolan-2-amine?
The InChIKey is IIIGXUANQZOIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c5-4-2-1-3-8(4,6)7/h4H,1-3,5H2.
What are the key properties of 1,1-dioxothiolan-2-amine?
1,1-dioxothiolan-2-amine has a molecular weight of 135.19 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothiolan-2-amine is sourced from PubChem (CID 20509051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).