1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid

C10H18N2O6S — CID 60859270

IUPAC1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCOC(=O)C(C)NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H18N2O6S/c1-7(10(15)18-2)11-19(16,17)12-6-4-3-5-8(12)9(13)14/h7-8,11H,3-6H2,1-2H3,(H,13,14)
InChIKeyWBSISTPJMAHPLG-UHFFFAOYSA-N
MW294.33 g/mol
LogP-0.68
Rot. Bonds5

About 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid

1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60859270) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60859270
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCOC(=O)C(C)NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H18N2O6S/c1-7(10(15)18-2)11-19(16,17)12-6-4-3-5-8(12)9(13)14/h7-8,11H,3-6H2,1-2H3,(H,13,14)
InChIKeyWBSISTPJMAHPLG-UHFFFAOYSA-N
XLogP-0.68
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857629
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859071
(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923146
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64564093
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid
CID 122070213
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid (CID 60859270) is 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid is COC(=O)C(C)NS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is WBSISTPJMAHPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-7(10(15)18-2)11-19(16,17)12-6-4-3-5-8(12)9(13)14/h7-8,11H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60859270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).