1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride

C16H25ClN2O5S — CID 119906798

IUPAC1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CCC(C(=O)O)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O5S.ClH/c1-17(2)24(21,22)15-5-3-14(4-6-15)23-12-11-18-9-7-13(8-10-18)16(19)20;/h3-6,13H,7-12H2,1-2H3,(H,19,20);1H
InChIKeyQKFZAOUBMDDBFT-UHFFFAOYSA-N
MW392.91 g/mol
LogP1.53
Rot. Bonds7

About 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride

1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119906798) has the molecular formula C16H25ClN2O5S and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID119906798
Molecular FormulaC16H25ClN2O5S
Molecular Weight392.91 g/mol
Exact Mass392.12
IUPAC Name1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CCC(C(=O)O)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O5S.ClH/c1-17(2)24(21,22)15-5-3-14(4-6-15)23-12-11-18-9-7-13(8-10-18)16(19)20;/h3-6,13H,7-12H2,1-2H3,(H,19,20);1H
InChIKeyQKFZAOUBMDDBFT-UHFFFAOYSA-N
XLogP1.53
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 95142828
N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide
CID 55626277
4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 55565091
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998172
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
CID 17421191
4-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24629101
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
CID 63844952
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 31803031
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride (CID 119906798) is 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride is CN(C)S(=O)(=O)c1ccc(OCCN2CCC(C(=O)O)CC2)cc1.Cl.
What is the InChIKey of 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is QKFZAOUBMDDBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S.ClH/c1-17(2)24(21,22)15-5-3-14(4-6-15)23-12-11-18-9-7-13(8-10-18)16(19)20;/h3-6,13H,7-12H2,1-2H3,(H,19,20);1H.
What are the key properties of 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride?
1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119906798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).