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

C11H16O3S2 — CID 64642589

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)c1cc(C)sc1C
InChIInChI=1S/C11H16O3S2/c1-4-5-16(13,14)7-11(12)10-6-8(2)15-9(10)3/h6H,4-5,7H2,1-3H3
InChIKeyFJJNWTDYJJYFFP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.37
Rot. Bonds5

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

1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone (PubChem CID 64642589) has the molecular formula C11H16O3S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone
PubChem CID64642589
Molecular FormulaC11H16O3S2
Molecular Weight260.38 g/mol
Exact Mass260.05
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)c1cc(C)sc1C
InChIInChI=1S/C11H16O3S2/c1-4-5-16(13,14)7-11(12)10-6-8(2)15-9(10)3/h6H,4-5,7H2,1-3H3
InChIKeyFJJNWTDYJJYFFP-UHFFFAOYSA-N
XLogP2.37
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone (CID 64642589) is 1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone is CCCS(=O)(=O)CC(=O)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone?
The InChIKey is FJJNWTDYJJYFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S2/c1-4-5-16(13,14)7-11(12)10-6-8(2)15-9(10)3/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone?
1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone has a molecular weight of 260.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone is sourced from PubChem (CID 64642589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).