1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid

C9H16N2O6S — CID 60858730

IUPAC1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCOC(=O)CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H16N2O6S/c1-17-8(12)6-10-18(15,16)11-4-2-7(3-5-11)9(13)14/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyCYQVNIFSSCZSEC-UHFFFAOYSA-N
MW280.30 g/mol
LogP-1.21
Rot. Bonds5

About 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid

1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60858730) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60858730
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCOC(=O)CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H16N2O6S/c1-17-8(12)6-10-18(15,16)11-4-2-7(3-5-11)9(13)14/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyCYQVNIFSSCZSEC-UHFFFAOYSA-N
XLogP-1.21
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789
1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107216371
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60858730) is 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid is COC(=O)CNS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is CYQVNIFSSCZSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-17-8(12)6-10-18(15,16)11-4-2-7(3-5-11)9(13)14/h7,10H,2-6H2,1H3,(H,13,14).
What are the key properties of 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of -1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60858730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).