1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid

C12H22N2O5S — CID 60858619

IUPAC1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(C1CCOCC1)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H22N2O5S/c1-13(10-5-8-19-9-6-10)20(17,18)14-7-3-2-4-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyWAAJBCGUBLSEDN-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.28
Rot. Bonds4

About 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid

1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60858619) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60858619
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(C1CCOCC1)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H22N2O5S/c1-13(10-5-8-19-9-6-10)20(17,18)14-7-3-2-4-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyWAAJBCGUBLSEDN-UHFFFAOYSA-N
XLogP0.28
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 154780562
(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
CID 100633794
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 43423586
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
CID 82745526
1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107435221
1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
1-(morpholin-4-ylsulfamoyl)piperidine-2-carboxylic acid
CID 83005622
1-(oxan-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 63711167

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid (CID 60858619) is 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid is CN(C1CCOCC1)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is WAAJBCGUBLSEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-13(10-5-8-19-9-6-10)20(17,18)14-7-3-2-4-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid?
1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60858619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).