1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid

C11H22N2O5S — CID 104759129

IUPAC1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(C)OCCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-9(2)18-7-5-12-19(16,17)13-6-3-4-10(8-13)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyVEHAOFYUANGAKV-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.04
Rot. Bonds7

About 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid

1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 104759129) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID104759129
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(C)OCCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-9(2)18-7-5-12-19(16,17)13-6-3-4-10(8-13)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyVEHAOFYUANGAKV-UHFFFAOYSA-N
XLogP0.04
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 106395341
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid (CID 104759129) is 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid is CC(C)OCCNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is VEHAOFYUANGAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-9(2)18-7-5-12-19(16,17)13-6-3-4-10(8-13)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid?
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104759129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).