1-(hexylsulfamoyl)piperidine-4-carboxylic acid

C12H24N2O4S — CID 60858433

IUPAC1-(hexylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCCCCCNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-2-3-4-5-8-13-19(17,18)14-9-6-11(7-10-14)12(15)16/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeyLUHDQVFWQPYXHO-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.20
Rot. Bonds8

About 1-(hexylsulfamoyl)piperidine-4-carboxylic acid

1-(hexylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 60858433) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(hexylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(hexylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID60858433
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-(hexylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCCCCCNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-2-3-4-5-8-13-19(17,18)14-9-6-11(7-10-14)12(15)16/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeyLUHDQVFWQPYXHO-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.20
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-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid
CID 106019200
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
CID 60857771
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789

Frequently Asked Questions

What is the IUPAC name of 1-(hexylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(hexylsulfamoyl)piperidine-4-carboxylic acid (CID 60858433) is 1-(hexylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(hexylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(hexylsulfamoyl)piperidine-4-carboxylic acid is CCCCCCNS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(hexylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is LUHDQVFWQPYXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-2-3-4-5-8-13-19(17,18)14-9-6-11(7-10-14)12(15)16/h11,13H,2-10H2,1H3,(H,15,16).
What are the key properties of 1-(hexylsulfamoyl)piperidine-4-carboxylic acid?
1-(hexylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 60858433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).