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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Related Compounds

3-Methyl-2-acetylthiophene
CID 83653
3-Acetyl-2,5-dimethylthiophene
CID 520191
1-(4-Methyl-2-thienyl)ethan-1-one
CID 83654
2-(Phenylsulfonyl)-1-(thiophen-3-yl)ethanone
CID 44437618
3-[(4-Methylphenyl)sulfanyl]-1-(2-thienyl)-1-propanone
CID 574135
4-Heptanoyl-thiophene-2-sulfonic acid amide
CID 10423541
4-Pentanoyl-2-thiophenesulfonamide
CID 11776737
1,1-Dioxo-2-thiophen-2-yl-1H-1lambda*6*-thiochromen-4-one
CID 44347333
(E)-1-(4-(Methylsulfonyl)phenyl)-2-phenyl-3-(thiophen-2-yl)prop-2-en-1-one
CID 46934235
2-(P-Methylsulfonylbenzoyl)Thiophene
CID 21262955
2-(Methanesulfinyl)-1-(thiophen-2-yl)ethan-1-one
CID 3066320
1-(2,5-Dimethylthiophen-3-yl)butan-1-one
CID 298608

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).