4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine

C5H12N2O4S — CID 175706695

IUPAC4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine
SMILESCN(C)C1(N(C)C)OS(=O)(=O)O1
InChIInChI=1S/C5H12N2O4S/c1-6(2)5(7(3)4)10-12(8,9)11-5/h1-4H3
InChIKeyCLHKNHLPXWSNTQ-UHFFFAOYSA-N
MW196.23 g/mol
LogP-0.99
Rot. Bonds2

About 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine

4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine (PubChem CID 175706695) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine.

Molecular Properties

Compound Name4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine
PubChem CID175706695
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine
SMILESCN(C)C1(N(C)C)OS(=O)(=O)O1
InChIInChI=1S/C5H12N2O4S/c1-6(2)5(7(3)4)10-12(8,9)11-5/h1-4H3
InChIKeyCLHKNHLPXWSNTQ-UHFFFAOYSA-N
XLogP-0.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine?
The IUPAC name of 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine (CID 175706695) is 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine.
What is the SMILES notation for 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine?
The canonical SMILES for 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine is CN(C)C1(N(C)C)OS(=O)(=O)O1.
What is the InChIKey of 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine?
The InChIKey is CLHKNHLPXWSNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-6(2)5(7(3)4)10-12(8,9)11-5/h1-4H3.
What are the key properties of 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine?
4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine has a molecular weight of 196.23 g/mol, XLogP of -0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine is sourced from PubChem (CID 175706695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).