1,1-dioxothian-3-amine

C5H11NO2S — CID 14024577

IUPAC1,1-dioxothian-3-amine
SMILESNC1CCCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c6-5-2-1-3-9(7,8)4-5/h5H,1-4,6H2
InChIKeyJIYSTEFWPNREEV-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.48
Rot. Bonds

About 1,1-dioxothian-3-amine

1,1-dioxothian-3-amine (PubChem CID 14024577) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 1,1-dioxothian-3-amine.

Molecular Properties

Compound Name1,1-dioxothian-3-amine
PubChem CID14024577
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name1,1-dioxothian-3-amine
SMILESNC1CCCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c6-5-2-1-3-9(7,8)4-5/h5H,1-4,6H2
InChIKeyJIYSTEFWPNREEV-UHFFFAOYSA-N
XLogP-0.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxothian-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothian-3-amine?
The IUPAC name of 1,1-dioxothian-3-amine (CID 14024577) is 1,1-dioxothian-3-amine.
What is the SMILES notation for 1,1-dioxothian-3-amine?
The canonical SMILES for 1,1-dioxothian-3-amine is NC1CCCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxothian-3-amine?
The InChIKey is JIYSTEFWPNREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c6-5-2-1-3-9(7,8)4-5/h5H,1-4,6H2.
What are the key properties of 1,1-dioxothian-3-amine?
1,1-dioxothian-3-amine has a molecular weight of 149.21 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothian-3-amine is sourced from PubChem (CID 14024577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).