1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine

C15H17NO3S2 — CID 131703854

IUPAC1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(c3cccs3)C2)c1
InChIInChI=1S/C15H17NO3S2/c1-19-13-4-2-5-14(10-13)21(17,18)16-8-7-12(11-16)15-6-3-9-20-15/h2-6,9-10,12H,7-8,11H2,1H3
InChIKeyLOCLCLJKCWZJGM-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.93
Rot. Bonds4

About 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine

1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine (PubChem CID 131703854) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
PubChem CID131703854
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(c3cccs3)C2)c1
InChIInChI=1S/C15H17NO3S2/c1-19-13-4-2-5-14(10-13)21(17,18)16-8-7-12(11-16)15-6-3-9-20-15/h2-6,9-10,12H,7-8,11H2,1H3
InChIKeyLOCLCLJKCWZJGM-UHFFFAOYSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
1-(2-methoxy-5-methylphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703855
2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide
CID 131703860
3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 119102477
3-[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129417378
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 110251093
2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 110259171
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
3-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 94797843
4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine
CID 124956425

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine (CID 131703854) is 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine is COc1cccc(S(=O)(=O)N2CCC(c3cccs3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine?
The InChIKey is LOCLCLJKCWZJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-19-13-4-2-5-14(10-13)21(17,18)16-8-7-12(11-16)15-6-3-9-20-15/h2-6,9-10,12H,7-8,11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine?
1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine has a molecular weight of 323.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 131703854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).