1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid

C12H22N2O5S — CID 106395341

IUPAC1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid
SMILESC=CCCOCCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O5S/c1-2-3-8-19-9-6-13-20(17,18)14-7-4-5-11(10-14)12(15)16/h2,11,13H,1,3-10H2,(H,15,16)
InChIKeyHHOZWYKWFGLXNO-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.21
Rot. Bonds9

About 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid

1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 106395341) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID106395341
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid
SMILESC=CCCOCCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O5S/c1-2-3-8-19-9-6-13-20(17,18)14-7-4-5-11(10-14)12(15)16/h2,11,13H,1,3-10H2,(H,15,16)
InChIKeyHHOZWYKWFGLXNO-UHFFFAOYSA-N
XLogP0.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815332
1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 106120655
1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid
CID 61403789
1-(2-prop-2-ynylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 114187438

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid (CID 106395341) is 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid is C=CCCOCCNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is HHOZWYKWFGLXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-2-3-8-19-9-6-13-20(17,18)14-7-4-5-11(10-14)12(15)16/h2,11,13H,1,3-10H2,(H,15,16).
What are the key properties of 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid?
1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of 0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 106395341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).