1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride

C17H25ClN2O6S — CID 119908675

IUPAC1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O6S.ClH/c20-17(21)16-2-1-7-18(16)8-13-25-14-3-5-15(6-4-14)26(22,23)19-9-11-24-12-10-19;/h3-6,16H,1-2,7-13H2,(H,20,21);1H
InChIKeyDDQIPIODPYXAMR-UHFFFAOYSA-N
MW420.92 g/mol
LogP1.06
Rot. Bonds7

About 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride

1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119908675) has the molecular formula C17H25ClN2O6S and a molecular weight of 420.92 g/mol. Its IUPAC name is 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119908675
Molecular FormulaC17H25ClN2O6S
Molecular Weight420.92 g/mol
Exact Mass420.11
IUPAC Name1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O6S.ClH/c20-17(21)16-2-1-7-18(16)8-13-25-14-3-5-15(6-4-14)26(22,23)19-9-11-24-12-10-19;/h3-6,16H,1-2,7-13H2,(H,20,21);1H
InChIKeyDDQIPIODPYXAMR-UHFFFAOYSA-N
XLogP1.06
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43442010
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9333015
(2S)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167816033
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid
CID 82224165
4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 9333066
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
(2S)-1-[2-(3-bromophenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049033
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119908675) is 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is DDQIPIODPYXAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S.ClH/c20-17(21)16-2-1-7-18(16)8-13-25-14-3-5-15(6-4-14)26(22,23)19-9-11-24-12-10-19;/h3-6,16H,1-2,7-13H2,(H,20,21);1H.
What are the key properties of 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 420.92 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119908675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).