3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene

C10H14O2S — CID 141000803

IUPAC3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
SMILESCC1C=C(S(=O)(=O)C2=CC(C)C2)C1
InChIInChI=1S/C10H14O2S/c1-7-3-9(4-7)13(11,12)10-5-8(2)6-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyYUWKNHMDNFAFSG-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.25
Rot. Bonds2

About 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene

3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene (PubChem CID 141000803) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene.

Molecular Properties

Compound Name3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
PubChem CID141000803
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
SMILESCC1C=C(S(=O)(=O)C2=CC(C)C2)C1
InChIInChI=1S/C10H14O2S/c1-7-3-9(4-7)13(11,12)10-5-8(2)6-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyYUWKNHMDNFAFSG-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene?
The IUPAC name of 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene (CID 141000803) is 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene.
What is the SMILES notation for 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene?
The canonical SMILES for 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene is CC1C=C(S(=O)(=O)C2=CC(C)C2)C1.
What is the InChIKey of 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene?
The InChIKey is YUWKNHMDNFAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7-3-9(4-7)13(11,12)10-5-8(2)6-10/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene?
3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene has a molecular weight of 198.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene is sourced from PubChem (CID 141000803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).