1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine

C17H21NO4S2 — CID 134035739

IUPAC1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESCOCCOc1ccc(S(=O)(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C17H21NO4S2/c1-21-11-12-22-14-6-8-15(9-7-14)24(19,20)18-10-2-4-16(18)17-5-3-13-23-17/h3,5-9,13,16H,2,4,10-12H2,1H3
InChIKeyGFBWOEVLCKZEQJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.30
Rot. Bonds7

About 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine

1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine (PubChem CID 134035739) has the molecular formula C17H21NO4S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine
PubChem CID134035739
Molecular FormulaC17H21NO4S2
Molecular Weight367.49 g/mol
Exact Mass367.09
IUPAC Name1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESCOCCOc1ccc(S(=O)(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C17H21NO4S2/c1-21-11-12-22-14-6-8-15(9-7-14)24(19,20)18-10-2-4-16(18)17-5-3-13-23-17/h3,5-9,13,16H,2,4,10-12H2,1H3
InChIKeyGFBWOEVLCKZEQJ-UHFFFAOYSA-N
XLogP3.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 26821437
1-(4-nitrophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 43001355
1-(benzenesulfonyl)-2-thiophen-2-ylazepane
CID 22586782
N-cyclopropyl-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 46596105
1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 18170893
3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 26947446
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964
methyl 4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylbutanoate
CID 61460575
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-thiophen-2-ylpyrrolidine
CID 51883239
2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid
CID 60953541
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
ethyl 3-methyl-5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate
CID 20895707

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine (CID 134035739) is 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine is COCCOc1ccc(S(=O)(=O)N2CCCC2c2cccs2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine?
The InChIKey is GFBWOEVLCKZEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S2/c1-21-11-12-22-14-6-8-15(9-7-14)24(19,20)18-10-2-4-16(18)17-5-3-13-23-17/h3,5-9,13,16H,2,4,10-12H2,1H3.
What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine?
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine has a molecular weight of 367.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 134035739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).