1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid

C15H22N2O5S — CID 136549040

IUPAC1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC(O)Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O5S/c18-14(9-12-5-2-1-3-6-12)10-16-23(21,22)17-8-4-7-13(11-17)15(19)20/h1-3,5-6,13-14,16,18H,4,7-11H2,(H,19,20)
InChIKeyQHQRAPABCKBXBX-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.22
Rot. Bonds7

About 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 136549040) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID136549040
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC(O)Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O5S/c18-14(9-12-5-2-1-3-6-12)10-16-23(21,22)17-8-4-7-13(11-17)15(19)20/h1-3,5-6,13-14,16,18H,4,7-11H2,(H,19,20)
InChIKeyQHQRAPABCKBXBX-UHFFFAOYSA-N
XLogP0.22
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 81043349
N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide
CID 166249626
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid (CID 136549040) is 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCC(O)Cc2ccccc2)C1.
What is the InChIKey of 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is QHQRAPABCKBXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c18-14(9-12-5-2-1-3-6-12)10-16-23(21,22)17-8-4-7-13(11-17)15(19)20/h1-3,5-6,13-14,16,18H,4,7-11H2,(H,19,20).
What are the key properties of 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 136549040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).