1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine

C15H17NO2S2 — CID 86778395

IUPAC1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine
SMILESCS(=O)(=O)c1ccccc1N1CCCC1c1ccsc1
InChIInChI=1S/C15H17NO2S2/c1-20(17,18)15-7-3-2-5-14(15)16-9-4-6-13(16)12-8-10-19-11-12/h2-3,5,7-8,10-11,13H,4,6,9H2,1H3
InChIKeyNGLADBWHKGEOMA-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine

1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine (PubChem CID 86778395) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine
PubChem CID86778395
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine
SMILESCS(=O)(=O)c1ccccc1N1CCCC1c1ccsc1
InChIInChI=1S/C15H17NO2S2/c1-20(17,18)15-7-3-2-5-14(15)16-9-4-6-13(16)12-8-10-19-11-12/h2-3,5,7-8,10-11,13H,4,6,9H2,1H3
InChIKeyNGLADBWHKGEOMA-UHFFFAOYSA-N
XLogP3.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylsulfonyl-2-nitrophenyl)-2-thiophen-3-ylpyrrolidine
CID 133393491
1-(2-methylsulfonylphenyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103198218
2-(3-chloropropyl)-1-(2-methylsulfonylphenyl)pyrrolidine
CID 55182800
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
2-[(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylmethyl]aniline
CID 62022446
N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 54923585
4-methyl-3-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylaniline
CID 61108236

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine?
The IUPAC name of 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine (CID 86778395) is 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine.
What is the SMILES notation for 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine?
The canonical SMILES for 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine is CS(=O)(=O)c1ccccc1N1CCCC1c1ccsc1.
What is the InChIKey of 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine?
The InChIKey is NGLADBWHKGEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-20(17,18)15-7-3-2-5-14(15)16-9-4-6-13(16)12-8-10-19-11-12/h2-3,5,7-8,10-11,13H,4,6,9H2,1H3.
What are the key properties of 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine?
1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine has a molecular weight of 307.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylphenyl)-2-thiophen-3-ylpyrrolidine is sourced from PubChem (CID 86778395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).