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

C7H14N2O3S — CID 20806664

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-8-7(10)6-9-2-4-13(11,12)5-3-9/h2-6H2,1H3,(H,8,10)
InChIKeyFNONOQQMYZRHGB-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.54
Rot. Bonds2

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide (PubChem CID 20806664) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide
PubChem CID20806664
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-8-7(10)6-9-2-4-13(11,12)5-3-9/h2-6H2,1H3,(H,8,10)
InChIKeyFNONOQQMYZRHGB-UHFFFAOYSA-N
XLogP-1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide (CID 20806664) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide is CNC(=O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide?
The InChIKey is FNONOQQMYZRHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-8-7(10)6-9-2-4-13(11,12)5-3-9/h2-6H2,1H3,(H,8,10).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide has a molecular weight of 206.27 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide is sourced from PubChem (CID 20806664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).