1-(pentylsulfamoyl)piperidine-2-carboxylic acid

C11H22N2O4S — CID 60857759

IUPAC1-(pentylsulfamoyl)piperidine-2-carboxylic acid
SMILESCCCCCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-2-3-5-8-12-18(16,17)13-9-6-4-7-10(13)11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyDUWHDKDDLLXZFW-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.95
Rot. Bonds7

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

1-(pentylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 60857759) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(pentylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(pentylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID60857759
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-(pentylsulfamoyl)piperidine-2-carboxylic acid
SMILESCCCCCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-2-3-5-8-12-18(16,17)13-9-6-4-7-10(13)11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyDUWHDKDDLLXZFW-UHFFFAOYSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
CID 106120554
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62640696
1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60926710
1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 83116927
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62976287
1-(2,2-diethoxyethylsulfamoyl)piperidine-2-carboxylic acid
CID 79538538
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433

Frequently Asked Questions

What is the IUPAC name of 1-(pentylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(pentylsulfamoyl)piperidine-2-carboxylic acid (CID 60857759) is 1-(pentylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(pentylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(pentylsulfamoyl)piperidine-2-carboxylic acid is CCCCCNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(pentylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is DUWHDKDDLLXZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-2-3-5-8-12-18(16,17)13-9-6-4-7-10(13)11(14)15/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 1-(pentylsulfamoyl)piperidine-2-carboxylic acid?
1-(pentylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 278.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 60857759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).