3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid

C10H19N3O5S — CID 55166654

IUPAC3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NCCS(N)(=O)=O)C1
InChIInChI=1S/C10H19N3O5S/c1-10(8(14)15)3-2-5-13(7-10)9(16)12-4-6-19(11,17)18/h2-7H2,1H3,(H,12,16)(H,14,15)(H2,11,17,18)
InChIKeyBNJDPSHSHNMHSS-UHFFFAOYSA-N
MW293.35 g/mol
LogP-0.83
Rot. Bonds4

About 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid

3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 55166654) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID55166654
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Name3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NCCS(N)(=O)=O)C1
InChIInChI=1S/C10H19N3O5S/c1-10(8(14)15)3-2-5-13(7-10)9(16)12-4-6-19(11,17)18/h2-7H2,1H3,(H,12,16)(H,14,15)(H2,11,17,18)
InChIKeyBNJDPSHSHNMHSS-UHFFFAOYSA-N
XLogP-0.83
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid (CID 55166654) is 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)NCCS(N)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is BNJDPSHSHNMHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-10(8(14)15)3-2-5-13(7-10)9(16)12-4-6-19(11,17)18/h2-7H2,1H3,(H,12,16)(H,14,15)(H2,11,17,18).
What are the key properties of 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55166654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).