2-(2-propan-2-yloxyethylsulfonyl)thiophene

C9H14O3S2 — CID 71981813

IUPAC2-(2-propan-2-yloxyethylsulfonyl)thiophene
SMILESCC(C)OCCS(=O)(=O)c1cccs1
InChIInChI=1S/C9H14O3S2/c1-8(2)12-5-7-14(10,11)9-4-3-6-13-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyNBUUXNIJSITQJU-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds5

About 2-(2-propan-2-yloxyethylsulfonyl)thiophene

2-(2-propan-2-yloxyethylsulfonyl)thiophene (PubChem CID 71981813) has the molecular formula C9H14O3S2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethylsulfonyl)thiophene.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethylsulfonyl)thiophene
PubChem CID71981813
Molecular FormulaC9H14O3S2
Molecular Weight234.34 g/mol
Exact Mass234.04
IUPAC Name2-(2-propan-2-yloxyethylsulfonyl)thiophene
SMILESCC(C)OCCS(=O)(=O)c1cccs1
InChIInChI=1S/C9H14O3S2/c1-8(2)12-5-7-14(10,11)9-4-3-6-13-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyNBUUXNIJSITQJU-UHFFFAOYSA-N
XLogP1.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Bis(ethylsulfonyl)thiophene
CID 678404
O-ethyl 2-thiophen-2-ylsulfonylethanethioate
CID 56668815
3-(tert-Butylsulfonyl)thiophene
CID 744382
Cambridge id 5103946
CID 778809
(t-Butylsulfonyl)thiophene
CID 778811
2,3-Bis(ethylsulfonyl)thiophene
CID 678403
Ethyl thiophene-2-sulfonate
CID 11106203
3-t-Butylsulfonyl-2-methylthiothiophene
CID 12457084
2-(Ethylsulfonyl)thiophene
CID 23380540
Methyl thiophene-2-sulfinate
CID 54238508
2-Butylsulfonylthiophene
CID 144387284
(2S)-2-methyl-2-thiophen-2-ylsulfonylbut-3-en-1-ol
CID 164683142

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethylsulfonyl)thiophene?
The IUPAC name of 2-(2-propan-2-yloxyethylsulfonyl)thiophene (CID 71981813) is 2-(2-propan-2-yloxyethylsulfonyl)thiophene.
What is the SMILES notation for 2-(2-propan-2-yloxyethylsulfonyl)thiophene?
The canonical SMILES for 2-(2-propan-2-yloxyethylsulfonyl)thiophene is CC(C)OCCS(=O)(=O)c1cccs1.
What is the InChIKey of 2-(2-propan-2-yloxyethylsulfonyl)thiophene?
The InChIKey is NBUUXNIJSITQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3S2/c1-8(2)12-5-7-14(10,11)9-4-3-6-13-9/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 2-(2-propan-2-yloxyethylsulfonyl)thiophene?
2-(2-propan-2-yloxyethylsulfonyl)thiophene has a molecular weight of 234.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethylsulfonyl)thiophene is sourced from PubChem (CID 71981813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).