2-(1-ethylsulfonylethylsulfonyl)thiophene

C8H12O4S3 — CID 11651901

IUPAC2-(1-ethylsulfonylethylsulfonyl)thiophene
SMILESCCS(=O)(=O)C(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H12O4S3/c1-3-14(9,10)7(2)15(11,12)8-5-4-6-13-8/h4-7H,3H2,1-2H3
InChIKeyZFDXLHLJPIEESX-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.30
Rot. Bonds4

About 2-(1-ethylsulfonylethylsulfonyl)thiophene

2-(1-ethylsulfonylethylsulfonyl)thiophene (PubChem CID 11651901) has the molecular formula C8H12O4S3 and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(1-ethylsulfonylethylsulfonyl)thiophene.

Molecular Properties

Compound Name2-(1-ethylsulfonylethylsulfonyl)thiophene
PubChem CID11651901
Molecular FormulaC8H12O4S3
Molecular Weight268.38 g/mol
Exact Mass267.99
IUPAC Name2-(1-ethylsulfonylethylsulfonyl)thiophene
SMILESCCS(=O)(=O)C(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H12O4S3/c1-3-14(9,10)7(2)15(11,12)8-5-4-6-13-8/h4-7H,3H2,1-2H3
InChIKeyZFDXLHLJPIEESX-UHFFFAOYSA-N
XLogP1.30
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-ylsulfonylthiophene
CID 22953694
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
3-thiophen-2-ylsulfonylbutan-2-one
CID 64642163
2-(difluoromethylsulfonyl)thiophene
CID 82076235
N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine
CID 117037755
2-methyl-3-thiophen-2-ylsulfonylbutanoic acid
CID 79391486
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
2-methylpropyl thiophene-2-sulfonate
CID 159006982
2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
CID 20982714
1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine
CID 167148661
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate
CID 106676969

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylethylsulfonyl)thiophene?
The IUPAC name of 2-(1-ethylsulfonylethylsulfonyl)thiophene (CID 11651901) is 2-(1-ethylsulfonylethylsulfonyl)thiophene.
What is the SMILES notation for 2-(1-ethylsulfonylethylsulfonyl)thiophene?
The canonical SMILES for 2-(1-ethylsulfonylethylsulfonyl)thiophene is CCS(=O)(=O)C(C)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(1-ethylsulfonylethylsulfonyl)thiophene?
The InChIKey is ZFDXLHLJPIEESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4S3/c1-3-14(9,10)7(2)15(11,12)8-5-4-6-13-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-(1-ethylsulfonylethylsulfonyl)thiophene?
2-(1-ethylsulfonylethylsulfonyl)thiophene has a molecular weight of 268.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylethylsulfonyl)thiophene is sourced from PubChem (CID 11651901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).