1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine

C9H13NO3S2 — CID 71969895

IUPAC1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine
SMILESCOc1ccsc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H13NO3S2/c1-13-8-4-7-14-9(8)15(11,12)10-5-2-3-6-10/h4,7H,2-3,5-6H2,1H3
InChIKeyDCSJZBLCFNEKBH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.54
Rot. Bonds3

About 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine

1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine (PubChem CID 71969895) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine
PubChem CID71969895
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine
SMILESCOc1ccsc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H13NO3S2/c1-13-8-4-7-14-9(8)15(11,12)10-5-2-3-6-10/h4,7H,2-3,5-6H2,1H3
InChIKeyDCSJZBLCFNEKBH-UHFFFAOYSA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine (CID 71969895) is 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine is COc1ccsc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is DCSJZBLCFNEKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-13-8-4-7-14-9(8)15(11,12)10-5-2-3-6-10/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine?
1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 247.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 71969895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).