2-propan-2-ylsulfonylthiophene

C7H10O2S2 — CID 22953694

IUPAC2-propan-2-ylsulfonylthiophene
SMILESCC(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C7H10O2S2/c1-6(2)11(8,9)7-4-3-5-10-7/h3-6H,1-2H3
InChIKeyPYXIPGDSPUUNIF-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.93
Rot. Bonds2

About 2-propan-2-ylsulfonylthiophene

2-propan-2-ylsulfonylthiophene (PubChem CID 22953694) has the molecular formula C7H10O2S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-propan-2-ylsulfonylthiophene.

Molecular Properties

Compound Name2-propan-2-ylsulfonylthiophene
PubChem CID22953694
Molecular FormulaC7H10O2S2
Molecular Weight190.29 g/mol
Exact Mass190.01
IUPAC Name2-propan-2-ylsulfonylthiophene
SMILESCC(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C7H10O2S2/c1-6(2)11(8,9)7-4-3-5-10-7/h3-6H,1-2H3
InChIKeyPYXIPGDSPUUNIF-UHFFFAOYSA-N
XLogP1.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
3-thiophen-2-ylsulfonylbutan-2-one
CID 64642163
2-(1-ethylsulfonylethylsulfonyl)thiophene
CID 11651901
2-(difluoromethylsulfonyl)thiophene
CID 82076235
2-methyl-3-thiophen-2-ylsulfonylbutanoic acid
CID 79391486
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine
CID 117037755
ethane;thiophene-2-sulfonyl chloride
CID 91564390
methyl thiophene-2-sulfonate
CID 56986285
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
2-methylpropyl thiophene-2-sulfonate
CID 159006982
methanol;thiophene-2-sulfonamide
CID 157397427

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonylthiophene?
The IUPAC name of 2-propan-2-ylsulfonylthiophene (CID 22953694) is 2-propan-2-ylsulfonylthiophene.
What is the SMILES notation for 2-propan-2-ylsulfonylthiophene?
The canonical SMILES for 2-propan-2-ylsulfonylthiophene is CC(C)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-propan-2-ylsulfonylthiophene?
The InChIKey is PYXIPGDSPUUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S2/c1-6(2)11(8,9)7-4-3-5-10-7/h3-6H,1-2H3.
What are the key properties of 2-propan-2-ylsulfonylthiophene?
2-propan-2-ylsulfonylthiophene has a molecular weight of 190.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonylthiophene is sourced from PubChem (CID 22953694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).