[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene

C15H20O2S — CID 101227457

IUPAC[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene
SMILESC=C1CCCC(C)(C)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20O2S/c1-12-8-7-11-15(2,3)14(12)18(16,17)13-9-5-4-6-10-13/h4-6,9-10,14H,1,7-8,11H2,2-3H3/t14-/m1/s1
InChIKeyQLNAKTCSGGDEOL-CQSZACIVSA-N
MW264.39 g/mol
LogP3.60
Rot. Bonds2

About [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene

[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene (PubChem CID 101227457) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene.

Molecular Properties

Compound Name[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene
PubChem CID101227457
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene
SMILESC=C1CCCC(C)(C)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20O2S/c1-12-8-7-11-15(2,3)14(12)18(16,17)13-9-5-4-6-10-13/h4-6,9-10,14H,1,7-8,11H2,2-3H3/t14-/m1/s1
InChIKeyQLNAKTCSGGDEOL-CQSZACIVSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene?
The IUPAC name of [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene (CID 101227457) is [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene.
What is the SMILES notation for [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene?
The canonical SMILES for [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene is C=C1CCCC(C)(C)[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene?
The InChIKey is QLNAKTCSGGDEOL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20O2S/c1-12-8-7-11-15(2,3)14(12)18(16,17)13-9-5-4-6-10-13/h4-6,9-10,14H,1,7-8,11H2,2-3H3/t14-/m1/s1.
What are the key properties of [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene?
[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene has a molecular weight of 264.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene is sourced from PubChem (CID 101227457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).