1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine

C10H15NO2S2 — CID 715527

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine
SMILESCc1cc(S(=O)(=O)N2CCCC2)c(C)s1
InChIInChI=1S/C10H15NO2S2/c1-8-7-10(9(2)14-8)15(12,13)11-5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyZJOSRTAMDOARSK-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.15
Rot. Bonds2

About 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine

1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine (PubChem CID 715527) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine
PubChem CID715527
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine
SMILESCc1cc(S(=O)(=O)N2CCCC2)c(C)s1
InChIInChI=1S/C10H15NO2S2/c1-8-7-10(9(2)14-8)15(12,13)11-5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyZJOSRTAMDOARSK-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine (CID 715527) is 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine is Cc1cc(S(=O)(=O)N2CCCC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine?
The InChIKey is ZJOSRTAMDOARSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-8-7-10(9(2)14-8)15(12,13)11-5-3-4-6-11/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine?
1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine has a molecular weight of 245.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine is sourced from PubChem (CID 715527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).