1,1-dioxothiane-3,5-diamine

C5H12N2O2S — CID 168885863

IUPAC1,1-dioxothiane-3,5-diamine
SMILESNC1CC(N)CS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c6-4-1-5(7)3-10(8,9)2-4/h4-5H,1-3,6-7H2
InChIKeyKFMHDMISRXLTJO-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.54
Rot. Bonds

About 1,1-dioxothiane-3,5-diamine

1,1-dioxothiane-3,5-diamine (PubChem CID 168885863) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1,1-dioxothiane-3,5-diamine.

Molecular Properties

Compound Name1,1-dioxothiane-3,5-diamine
PubChem CID168885863
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name1,1-dioxothiane-3,5-diamine
SMILESNC1CC(N)CS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c6-4-1-5(7)3-10(8,9)2-4/h4-5H,1-3,6-7H2
InChIKeyKFMHDMISRXLTJO-UHFFFAOYSA-N
XLogP-1.54
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiane-3,5-diamine?
The IUPAC name of 1,1-dioxothiane-3,5-diamine (CID 168885863) is 1,1-dioxothiane-3,5-diamine.
What is the SMILES notation for 1,1-dioxothiane-3,5-diamine?
The canonical SMILES for 1,1-dioxothiane-3,5-diamine is NC1CC(N)CS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxothiane-3,5-diamine?
The InChIKey is KFMHDMISRXLTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-4-1-5(7)3-10(8,9)2-4/h4-5H,1-3,6-7H2.
What are the key properties of 1,1-dioxothiane-3,5-diamine?
1,1-dioxothiane-3,5-diamine has a molecular weight of 164.23 g/mol, XLogP of -1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothiane-3,5-diamine is sourced from PubChem (CID 168885863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).