4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid

C10H20N2O4S — CID 114807133

IUPAC4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
SMILESCCCNS(=O)(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-3-5-11-17(15,16)12-6-4-8(2)7-9(12)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyLEXZOPLUDSPBOM-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.42
Rot. Bonds5

About 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid

4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 114807133) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID114807133
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
SMILESCCCNS(=O)(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-3-5-11-17(15,16)12-6-4-8(2)7-9(12)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyLEXZOPLUDSPBOM-UHFFFAOYSA-N
XLogP0.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
CID 114807134
4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
CID 114422080
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidine-2-carboxylic acid
CID 114422164
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422077
4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 115867389
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114805196

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid (CID 114807133) is 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid is CCCNS(=O)(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is LEXZOPLUDSPBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-5-11-17(15,16)12-6-4-8(2)7-9(12)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid?
4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114807133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).