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

C10H16N2O6S2 — CID 7102189

IUPACN,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCS(=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)/t7-,8-/m0/s1
InChIKeyHVUDWKHJTKASIX-YUMQZZPRSA-N
MW324.38 g/mol
LogP-2.41
Rot. Bonds2

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

N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide (PubChem CID 7102189) has the molecular formula C10H16N2O6S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
PubChem CID7102189
Molecular FormulaC10H16N2O6S2
Molecular Weight324.38 g/mol
Exact Mass324.04
IUPAC NameN,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCS(=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)/t7-,8-/m0/s1
InChIKeyHVUDWKHJTKASIX-YUMQZZPRSA-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'}

Analyze N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-(1,1-dioxothiolan-3-yl)-2-methylprop-2-enamide
CID 3806585
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838
4-[(1,1-dioxothiolan-3-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991603
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
CID 7361259
2-(2,6-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-2-oxoacetamide
CID 108524869
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide
CID 78972072
N'-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)oxamide
CID 108526829

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide?
The IUPAC name of N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide (CID 7102189) is N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide.
What is the SMILES notation for N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide?
The canonical SMILES for N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide is O=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide?
The InChIKey is HVUDWKHJTKASIX-YUMQZZPRSA-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)/t7-,8-/m0/s1.
What are the key properties of N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide?
N,N'-bis[(3S)-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[(3S)-1,1-dioxothiolan-3-yl]oxamide is sourced from PubChem (CID 7102189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).