2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone

C11H14O4S2 — CID 107764008

IUPAC2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone
SMILESCC1OCCC1S(=O)(=O)CC(=O)c1cccs1
InChIInChI=1S/C11H14O4S2/c1-8-11(4-5-15-8)17(13,14)7-9(12)10-3-2-6-16-10/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeySXJJWUNAINARID-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.52
Rot. Bonds4

About 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone

2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone (PubChem CID 107764008) has the molecular formula C11H14O4S2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone
PubChem CID107764008
Molecular FormulaC11H14O4S2
Molecular Weight274.36 g/mol
Exact Mass274.03
IUPAC Name2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone
SMILESCC1OCCC1S(=O)(=O)CC(=O)c1cccs1
InChIInChI=1S/C11H14O4S2/c1-8-11(4-5-15-8)17(13,14)7-9(12)10-3-2-6-16-10/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeySXJJWUNAINARID-UHFFFAOYSA-N
XLogP1.52
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone
CID 107764032
2-methylsulfonyl-1-thiophen-2-ylethanone
CID 4253076
4-(2-methyloxolan-3-yl)sulfanyl-1-thiophen-2-ylbutan-1-one
CID 103847347
N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82744433
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 79758315
1-thiophen-2-ylpropan-1-one
CID 26179
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
CID 64642953
2-(3-methylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 43796416
5-(2-methyloxolan-3-yl)sulfonylpentanoic acid
CID 107746515
2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone
CID 82180145
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone
CID 116826252

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone (CID 107764008) is 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone is CC1OCCC1S(=O)(=O)CC(=O)c1cccs1.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone?
The InChIKey is SXJJWUNAINARID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S2/c1-8-11(4-5-15-8)17(13,14)7-9(12)10-3-2-6-16-10/h2-3,6,8,11H,4-5,7H2,1H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone?
2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone has a molecular weight of 274.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 107764008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).