2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

C11H19NO5S2 — CID 110852811

IUPAC2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)CC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO5S2/c13-11(12-10-3-6-19(16,17)8-10)7-9-1-4-18(14,15)5-2-9/h9-10H,1-8H2,(H,12,13)
InChIKeyGVUMRXDUNMWPJT-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.50
Rot. Bonds3

About 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 110852811) has the molecular formula C11H19NO5S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID110852811
Molecular FormulaC11H19NO5S2
Molecular Weight309.41 g/mol
Exact Mass309.07
IUPAC Name2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)CC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO5S2/c13-11(12-10-3-6-19(16,17)8-10)7-9-1-4-18(14,15)5-2-9/h9-10H,1-8H2,(H,12,13)
InChIKeyGVUMRXDUNMWPJT-UHFFFAOYSA-N
XLogP-0.50
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-piperidin-4-ylacetamide
CID 24700012
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide
CID 43649180
2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 62378969
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-dioxothian-3-yl)acetamide;hydrochloride
CID 119784481
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 110852811) is 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CCS(=O)(=O)CC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is GVUMRXDUNMWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S2/c13-11(12-10-3-6-19(16,17)8-10)7-9-1-4-18(14,15)5-2-9/h9-10H,1-8H2,(H,12,13).
What are the key properties of 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 309.41 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 110852811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).