(1,1-dioxothiolan-3-yl)methanamine

C5H11NO2S — CID 2772225

IUPAC(1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-4,6H2
InChIKeyYCTRDJGHVGMYAO-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.62
Rot. Bonds1

About (1,1-dioxothiolan-3-yl)methanamine

(1,1-dioxothiolan-3-yl)methanamine (PubChem CID 2772225) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)methanamine
PubChem CID2772225
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-4,6H2
InChIKeyYCTRDJGHVGMYAO-UHFFFAOYSA-N
XLogP-0.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 (1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of (1,1-dioxothiolan-3-yl)methanamine (CID 2772225) is (1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for (1,1-dioxothiolan-3-yl)methanamine is NCC1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is YCTRDJGHVGMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-4,6H2.
What are the key properties of (1,1-dioxothiolan-3-yl)methanamine?
(1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 149.21 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 2772225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).