1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid

C12H22N2O6S — CID 60857629

IUPAC1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCOC(=O)C(NS(=O)(=O)N1CCCCC1C(=O)O)C(C)C
InChIInChI=1S/C12H22N2O6S/c1-8(2)10(12(17)20-3)13-21(18,19)14-7-5-4-6-9(14)11(15)16/h8-10,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyWETBENGAYXWTIH-UHFFFAOYSA-N
MW322.38 g/mol
LogP-0.04
Rot. Bonds6

About 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid

1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60857629) has the molecular formula C12H22N2O6S and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60857629
Molecular FormulaC12H22N2O6S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Name1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCOC(=O)C(NS(=O)(=O)N1CCCCC1C(=O)O)C(C)C
InChIInChI=1S/C12H22N2O6S/c1-8(2)10(12(17)20-3)13-21(18,19)14-7-5-4-6-9(14)11(15)16/h8-10,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyWETBENGAYXWTIH-UHFFFAOYSA-N
XLogP-0.04
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859071
methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate
CID 43423217
(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923146
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 122067923
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid
CID 122070213

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid (CID 60857629) is 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid is COC(=O)C(NS(=O)(=O)N1CCCCC1C(=O)O)C(C)C.
What is the InChIKey of 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is WETBENGAYXWTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6S/c1-8(2)10(12(17)20-3)13-21(18,19)14-7-5-4-6-9(14)11(15)16/h8-10,13H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 322.38 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60857629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).