N,N'-bis(1,1-dioxothiolan-3-yl)oxamide

C10H16N2O6S2 — CID 3152339

IUPACN,N'-bis(1,1-dioxothiolan-3-yl)oxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O6S2/c13-9(11-7-1-3-19(15,16)5-7)10(14)12-8-2-4-20(17,18)6-8/h7-8H,1-6H2,(H,11,13)(H,12,14)
InChIKeyHVUDWKHJTKASIX-UHFFFAOYSA-N
MW324.38 g/mol
LogP-2.41
Rot. Bonds2

About N,N'-bis(1,1-dioxothiolan-3-yl)oxamide

N,N'-bis(1,1-dioxothiolan-3-yl)oxamide (PubChem CID 3152339) has the molecular formula C10H16N2O6S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N,N'-bis(1,1-dioxothiolan-3-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(1,1-dioxothiolan-3-yl)oxamide
PubChem CID3152339
Molecular FormulaC10H16N2O6S2
Molecular Weight324.38 g/mol
Exact Mass324.04
IUPAC NameN,N'-bis(1,1-dioxothiolan-3-yl)oxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O6S2/c13-9(11-7-1-3-19(15,16)5-7)10(14)12-8-2-4-20(17,18)6-8/h7-8H,1-6H2,(H,11,13)(H,12,14)
InChIKeyHVUDWKHJTKASIX-UHFFFAOYSA-N
XLogP-2.41
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-2.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1,1-dioxothiolan-3-yl)oxamide?
The IUPAC name of N,N'-bis(1,1-dioxothiolan-3-yl)oxamide (CID 3152339) is N,N'-bis(1,1-dioxothiolan-3-yl)oxamide.
What is the SMILES notation for N,N'-bis(1,1-dioxothiolan-3-yl)oxamide?
The canonical SMILES for N,N'-bis(1,1-dioxothiolan-3-yl)oxamide is O=C(NC1CCS(=O)(=O)C1)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N,N'-bis(1,1-dioxothiolan-3-yl)oxamide?
The InChIKey is HVUDWKHJTKASIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6S2/c13-9(11-7-1-3-19(15,16)5-7)10(14)12-8-2-4-20(17,18)6-8/h7-8H,1-6H2,(H,11,13)(H,12,14).
What are the key properties of N,N'-bis(1,1-dioxothiolan-3-yl)oxamide?
N,N'-bis(1,1-dioxothiolan-3-yl)oxamide has a molecular weight of 324.38 g/mol, XLogP of -2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,1-dioxothiolan-3-yl)oxamide is sourced from PubChem (CID 3152339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).