[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene

C11H14O2S — CID 95562608

IUPAC[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
SMILESCC1(C)C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O2S/c1-11(2)8-10(11)14(12,13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyKKUDEZRMGCRZNF-SNVBAGLBSA-N
MW210.30 g/mol
LogP2.26
Rot. Bonds2

About [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene

[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene (PubChem CID 95562608) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene.

Molecular Properties

Compound Name[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
PubChem CID95562608
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
SMILESCC1(C)C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O2S/c1-11(2)8-10(11)14(12,13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyKKUDEZRMGCRZNF-SNVBAGLBSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
CID 99999155
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
CID 99999201
trans-(1S,2R)-2-(benzenesulfonyl)-1-phenylcyclopropane-1-carbonitrile
CID 11460276
[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol
CID 102568969
cis-(1R,2S)-2-(benzenesulfonyl)-1-(methoxymethyl)cyclopropane-1-carbonitrile
CID 99998980
[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene
CID 101227457
cis-ethyl (1S,2R)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 99999029
trans-(1R,2R)-2-(benzenesulfonyl)-1-(ethoxymethyl)cyclopropane-1-carbonitrile
CID 99999000
6-(benzenesulfonyl)-2-oxaspiro[3.3]heptane
CID 86685334
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene
CID 102329624
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene?
The IUPAC name of [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene (CID 95562608) is [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene.
What is the SMILES notation for [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene?
The canonical SMILES for [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene is CC1(C)C[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene?
The InChIKey is KKUDEZRMGCRZNF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O2S/c1-11(2)8-10(11)14(12,13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene?
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene has a molecular weight of 210.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene is sourced from PubChem (CID 95562608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).