(3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene

C14H16O2S — CID 164999855

IUPAC(3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene
SMILESC=C1C=C(C)CC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H16O2S/c1-11-8-12(2)10-14(9-11)17(15,16)13-6-4-3-5-7-13/h3-8,14H,1,9-10H2,2H3
InChIKeyWIYJXPRAFGFRFC-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.13
Rot. Bonds2

About (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene

(3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene (PubChem CID 164999855) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene.

Molecular Properties

Compound Name(3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene
PubChem CID164999855
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name(3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene
SMILESC=C1C=C(C)CC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H16O2S/c1-11-8-12(2)10-14(9-11)17(15,16)13-6-4-3-5-7-13/h3-8,14H,1,9-10H2,2H3
InChIKeyWIYJXPRAFGFRFC-UHFFFAOYSA-N
XLogP3.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylcyclohex-3-en-1-yl)sulfonylbenzene
CID 13330028
methyl 3-methyl-5-methylidenecyclohex-3-ene-1-sulfonate
CID 165021212
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
(2R)-5-(benzenesulfonyl)-2-methylcyclohexan-1-one
CID 167093009
3-(benzenesulfonyl)cyclopentan-1-one
CID 64722631
[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene
CID 101227457
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
3-(benzenesulfonyl)piperidine;ethane
CID 142376077
(1S,5R)-3-(benzenesulfonyl)-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 97417329
(1R,4S,5S)-5-(benzenesulfonyl)-6-methylidenebicyclo[2.2.1]hept-2-ene
CID 100975034
6-(benzenesulfonyl)-2-oxaspiro[3.3]heptane
CID 86685334
(4R)-4-(benzenesulfonyl)azetidin-2-one
CID 51374299

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene?
The IUPAC name of (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene (CID 164999855) is (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene.
What is the SMILES notation for (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene?
The canonical SMILES for (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene is C=C1C=C(C)CC(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene?
The InChIKey is WIYJXPRAFGFRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-11-8-12(2)10-14(9-11)17(15,16)13-6-4-3-5-7-13/h3-8,14H,1,9-10H2,2H3.
What are the key properties of (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene?
(3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene has a molecular weight of 248.35 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-methylidenecyclohex-3-en-1-yl)sulfonylbenzene is sourced from PubChem (CID 164999855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).