1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone

C18H24O3S — CID 67953738

IUPAC1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@]1(c2ccc(S(C)(=O)=O)cc2)C[C@H]1C1CCCCC1
InChIInChI=1S/C18H24O3S/c1-13(19)18(12-17(18)14-6-4-3-5-7-14)15-8-10-16(11-9-15)22(2,20)21/h8-11,14,17H,3-7,12H2,1-2H3/t17-,18-/m0/s1
InChIKeyLKLVCBWVTLBTLK-ROUUACIJSA-N
MW320.45 g/mol
LogP3.52
Rot. Bonds4

About 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone

1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone (PubChem CID 67953738) has the molecular formula C18H24O3S and a molecular weight of 320.45 g/mol. Its IUPAC name is 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone
PubChem CID67953738
Molecular FormulaC18H24O3S
Molecular Weight320.45 g/mol
Exact Mass320.14
IUPAC Name1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@]1(c2ccc(S(C)(=O)=O)cc2)C[C@H]1C1CCCCC1
InChIInChI=1S/C18H24O3S/c1-13(19)18(12-17(18)14-6-4-3-5-7-14)15-8-10-16(11-9-15)22(2,20)21/h8-11,14,17H,3-7,12H2,1-2H3/t17-,18-/m0/s1
InChIKeyLKLVCBWVTLBTLK-ROUUACIJSA-N
XLogP3.52
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 67084449
[2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol
CID 67084525
ethyl 2-[[2-cyclopentyl-1-(4-methylsulfonylphenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate
CID 85129388
2,2-dichloro-3-cyclopentyl-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 67084660
2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid
CID 67484599
(2R,4S,5R)-4-hydroxy-4,5-bis(4-methylsulfonylphenyl)oxolane-2-carboxylic acid
CID 25188734
[N'-[(1R,2S)-2-cyclohexyl-1-(4-propan-2-ylsulfonylphenyl)cyclopropanecarbonyl]carbamimidoyl] methanimidothioate
CID 142922855
1-[(1S,2S)-2-cyclohexylcyclopropyl]-4-methylsulfonylbenzene
CID 70255200
2-(4-methylsulfonylphenyl)oxiran-2-ol
CID 139947405
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005
(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783940

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone (CID 67953738) is 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone is CC(=O)[C@]1(c2ccc(S(C)(=O)=O)cc2)C[C@H]1C1CCCCC1.
What is the InChIKey of 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone?
The InChIKey is LKLVCBWVTLBTLK-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24O3S/c1-13(19)18(12-17(18)14-6-4-3-5-7-14)15-8-10-16(11-9-15)22(2,20)21/h8-11,14,17H,3-7,12H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone?
1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone has a molecular weight of 320.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 67953738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).