(3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone

C11H15NO3S2 — CID 71805497

IUPAC(3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C11H15NO3S2/c1-8-5-10(16-7-8)11(13)12-4-3-9(6-12)17(2,14)15/h5,7,9H,3-4,6H2,1-2H3
InChIKeyJUTNFFWWIHGGJW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.32
Rot. Bonds2

About (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone

(3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone (PubChem CID 71805497) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone
PubChem CID71805497
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name(3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C11H15NO3S2/c1-8-5-10(16-7-8)11(13)12-4-3-9(6-12)17(2,14)15/h5,7,9H,3-4,6H2,1-2H3
InChIKeyJUTNFFWWIHGGJW-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone?
The IUPAC name of (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone (CID 71805497) is (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCC(S(C)(=O)=O)C2)c1.
What is the InChIKey of (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone?
The InChIKey is JUTNFFWWIHGGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-8-5-10(16-7-8)11(13)12-4-3-9(6-12)17(2,14)15/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone?
(3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylpyrrolidin-1-yl)-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 71805497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).