1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid

C11H20N2O5S — CID 54937723

IUPAC1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCC2CCOC2)CC1
InChIInChI=1S/C11H20N2O5S/c14-11(15)10-1-4-13(5-2-10)19(16,17)12-7-9-3-6-18-8-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyNPIJMIVGCKLKAY-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.35
Rot. Bonds5

About 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid

1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 54937723) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID54937723
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCC2CCOC2)CC1
InChIInChI=1S/C11H20N2O5S/c14-11(15)10-1-4-13(5-2-10)19(16,17)12-7-9-3-6-18-8-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyNPIJMIVGCKLKAY-UHFFFAOYSA-N
XLogP-0.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
1-(oxan-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 63711167
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 81043165
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789
4-hydroxy-4-[(oxolan-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499198
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
3-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550051
1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 146134201
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid (CID 54937723) is 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NCC2CCOC2)CC1.
What is the InChIKey of 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is NPIJMIVGCKLKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c14-11(15)10-1-4-13(5-2-10)19(16,17)12-7-9-3-6-18-8-9/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid?
1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 54937723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).