2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C11H20N2O5S2 — CID 80519802

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CC1CS(=O)(=O)CCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O5S2/c1-13(10-2-4-19(15,16)8-10)11(14)6-9-7-20(17,18)5-3-12-9/h9-10,12H,2-8H2,1H3
InChIKeyHMFVXKRNHDGWJN-UHFFFAOYSA-N
MW324.42 g/mol
LogP-1.59
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 80519802) has the molecular formula C11H20N2O5S2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID80519802
Molecular FormulaC11H20N2O5S2
Molecular Weight324.42 g/mol
Exact Mass324.08
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CC1CS(=O)(=O)CCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O5S2/c1-13(10-2-4-19(15,16)8-10)11(14)6-9-7-20(17,18)5-3-12-9/h9-10,12H,2-8H2,1H3
InChIKeyHMFVXKRNHDGWJN-UHFFFAOYSA-N
XLogP-1.59
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 43648898
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 80520117
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607275
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 43649177
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110852974
N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519883
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethylphenyl)-N-methylacetamide
CID 80518081
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 80519802) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CN(C(=O)CC1CS(=O)(=O)CCN1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is HMFVXKRNHDGWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S2/c1-13(10-2-4-19(15,16)8-10)11(14)6-9-7-20(17,18)5-3-12-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 324.42 g/mol, XLogP of -1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 80519802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).