1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid

C11H17NO5S — CID 43354202

IUPAC1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H17NO5S/c13-10(9-3-6-18(16,17)7-9)12-4-1-8(2-5-12)11(14)15/h8-9H,1-7H2,(H,14,15)
InChIKeyBRZCLJHTHREVIL-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.26
Rot. Bonds2

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

1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 43354202) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID43354202
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H17NO5S/c13-10(9-3-6-18(16,17)7-9)12-4-1-8(2-5-12)11(14)15/h8-9H,1-7H2,(H,14,15)
InChIKeyBRZCLJHTHREVIL-UHFFFAOYSA-N
XLogP-0.26
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid (CID 43354202) is 1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is BRZCLJHTHREVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c13-10(9-3-6-18(16,17)7-9)12-4-1-8(2-5-12)11(14)15/h8-9H,1-7H2,(H,14,15).
What are the key properties of 1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid?
1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43354202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).