1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid

C9H16N2O6S — CID 114463047

IUPAC1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C9H16N2O6S/c1-9(7(12)13)5-3-4-6-11(9)18(15,16)10-8(14)17-2/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyVCBILQVMOBZNSZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP-0.08
Rot. Bonds3

About 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid

1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 114463047) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID114463047
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C9H16N2O6S/c1-9(7(12)13)5-3-4-6-11(9)18(15,16)10-8(14)17-2/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyVCBILQVMOBZNSZ-UHFFFAOYSA-N
XLogP-0.08
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
CID 114807086
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
1-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595640
1-butylsulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595633
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
2-methyl-1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid
CID 104595563
1-(2,6-dichlorophenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595612
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595604
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462717

Frequently Asked Questions

What is the IUPAC name of 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid (CID 114463047) is 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid is COC(=O)NS(=O)(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is VCBILQVMOBZNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-9(7(12)13)5-3-4-6-11(9)18(15,16)10-8(14)17-2/h3-6H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid?
1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114463047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).