1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid

C11H18N2O5S — CID 43581913

IUPAC1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H18N2O5S/c14-10(15)9-2-1-3-13(8-9)11(16)12-4-6-19(17,18)7-5-12/h9H,1-8H2,(H,14,15)
InChIKeyMZLGXDWGFOFVAD-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.37
Rot. Bonds1

About 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid

1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43581913) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID43581913
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H18N2O5S/c14-10(15)9-2-1-3-13(8-9)11(16)12-4-6-19(17,18)7-5-12/h9H,1-8H2,(H,14,15)
InChIKeyMZLGXDWGFOFVAD-UHFFFAOYSA-N
XLogP-0.37
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid (CID 43581913) is 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is MZLGXDWGFOFVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c14-10(15)9-2-1-3-13(8-9)11(16)12-4-6-19(17,18)7-5-12/h9H,1-8H2,(H,14,15).
What are the key properties of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid?
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43581913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).