1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid

C9H18N2O6S2 — CID 54931954

IUPAC1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
SMILESCS(=O)(=O)CCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C9H18N2O6S2/c1-18(14,15)7-5-10-19(16,17)11-6-3-2-4-8(11)9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyQGFCLXNWFWKRGX-UHFFFAOYSA-N
MW314.39 g/mol
LogP-1.20
Rot. Bonds6

About 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid

1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 54931954) has the molecular formula C9H18N2O6S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID54931954
Molecular FormulaC9H18N2O6S2
Molecular Weight314.39 g/mol
Exact Mass314.06
IUPAC Name1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
SMILESCS(=O)(=O)CCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C9H18N2O6S2/c1-18(14,15)7-5-10-19(16,17)11-6-3-2-4-8(11)9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyQGFCLXNWFWKRGX-UHFFFAOYSA-N
XLogP-1.20
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
CID 106120554
1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60926710
1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 83116927
1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62976287
1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62640696
1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 106244592
1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79561600
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60857946

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid (CID 54931954) is 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid is CS(=O)(=O)CCNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is QGFCLXNWFWKRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S2/c1-18(14,15)7-5-10-19(16,17)11-6-3-2-4-8(11)9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid?
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of -1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 54931954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).