1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid

C11H18N2O4S — CID 54975908

IUPAC1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCS(=O)CC2)CC1
InChIInChI=1S/C11H18N2O4S/c14-10(15)9-1-3-12(4-2-9)11(16)13-5-7-18(17)8-6-13/h9H,1-8H2,(H,14,15)
InChIKeyBJRMWWVGGDYJIL-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.03
Rot. Bonds1

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

1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 54975908) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID54975908
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCS(=O)CC2)CC1
InChIInChI=1S/C11H18N2O4S/c14-10(15)9-1-3-12(4-2-9)11(16)13-5-7-18(17)8-6-13/h9H,1-8H2,(H,14,15)
InChIKeyBJRMWWVGGDYJIL-UHFFFAOYSA-N
XLogP-0.03
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid (CID 54975908) is 1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)N2CCS(=O)CC2)CC1.
What is the InChIKey of 1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is BJRMWWVGGDYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-10(15)9-1-3-12(4-2-9)11(16)13-5-7-18(17)8-6-13/h9H,1-8H2,(H,14,15).
What are the key properties of 1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid?
1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1,4-thiazinane-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 54975908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).