1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid

C12H20N2O5S — CID 43615524

IUPAC1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H20N2O5S/c15-11(16)9-2-1-5-14(8-9)12(17)13-10-3-6-20(18,19)7-4-10/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyOYPXZZNCDXEHDM-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.07
Rot. Bonds2

About 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 43615524) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID43615524
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H20N2O5S/c15-11(16)9-2-1-5-14(8-9)12(17)13-10-3-6-20(18,19)7-4-10/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyOYPXZZNCDXEHDM-UHFFFAOYSA-N
XLogP0.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.07
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-Oxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
CID 54975907
1-[(1,1-Dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43318359
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-4-carboxylic acid
CID 43615525
1-[(1,1-Dioxothiolan-3-yl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 43649037
1-(2-Methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 54935229
3-Methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid
CID 55166654
1-[(1,1-Dioxothian-4-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859099

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid (CID 43615524) is 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NC2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is OYPXZZNCDXEHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c15-11(16)9-2-1-5-14(8-9)12(17)13-10-3-6-20(18,19)7-4-10/h9-10H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43615524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).