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

C11H20N2O6S2 — CID 60858947

IUPAC1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)9-1-5-13(6-2-9)21(18,19)12-10-3-7-20(16,17)8-4-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyQMNJLFDXOUKRTD-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.81
Rot. Bonds4

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

1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60858947) has the molecular formula C11H20N2O6S2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60858947
Molecular FormulaC11H20N2O6S2
Molecular Weight340.42 g/mol
Exact Mass340.08
IUPAC Name1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)9-1-5-13(6-2-9)21(18,19)12-10-3-7-20(16,17)8-4-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyQMNJLFDXOUKRTD-UHFFFAOYSA-N
XLogP-0.81
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 60858947) is 1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NC2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is QMNJLFDXOUKRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S2/c14-11(15)9-1-5-13(6-2-9)21(18,19)12-10-3-7-20(16,17)8-4-10/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothian-4-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60858947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).