1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid

C11H18N2O5S — CID 43318359

IUPAC1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H18N2O5S/c14-10(15)8-2-1-4-13(6-8)11(16)12-9-3-5-19(17,18)7-9/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyCLLBGOPCIQVJHI-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.32
Rot. Bonds2

About 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 43318359) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID43318359
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H18N2O5S/c14-10(15)8-2-1-4-13(6-8)11(16)12-9-3-5-19(17,18)7-9/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyCLLBGOPCIQVJHI-UHFFFAOYSA-N
XLogP-0.32
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(Dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093221
1-[[3-(Dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103103
1-(1,1-Dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
CID 43581913
1-[(1,1-Dioxothiolan-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 43135731
1-[Methyl(thiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43297007
1-[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385888
1-(2-Sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43552619
1-[(1,1-Dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43615524
1-[(1,1-Dioxothiolan-3-yl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 43649037
1-(2-Methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 54935229
1-[(1,1-Dioxothian-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55150453
3-Methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid
CID 55166654

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 43318359) is 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NC2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CLLBGOPCIQVJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c14-10(15)8-2-1-4-13(6-8)11(16)12-9-3-5-19(17,18)7-9/h8-9H,1-7H2,(H,12,16)(H,14,15).
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43318359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).