1-(1-cyclopropylethylsulfonyl)-4-methylbenzene

C12H16O2S — CID 135078085

IUPAC1-(1-cyclopropylethylsulfonyl)-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(C)C2CC2)cc1
InChIInChI=1S/C12H16O2S/c1-9-3-7-12(8-4-9)15(13,14)10(2)11-5-6-11/h3-4,7-8,10-11H,5-6H2,1-2H3
InChIKeyNKWBVCIOZALHOB-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.57
Rot. Bonds3

About 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene

1-(1-cyclopropylethylsulfonyl)-4-methylbenzene (PubChem CID 135078085) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-cyclopropylethylsulfonyl)-4-methylbenzene
PubChem CID135078085
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name1-(1-cyclopropylethylsulfonyl)-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(C)C2CC2)cc1
InChIInChI=1S/C12H16O2S/c1-9-3-7-12(8-4-9)15(13,14)10(2)11-5-6-11/h3-4,7-8,10-11H,5-6H2,1-2H3
InChIKeyNKWBVCIOZALHOB-UHFFFAOYSA-N
XLogP2.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopropyl(isocyano)methyl]sulfonyl-4-methylbenzene
CID 98229937
1-[(R)-cyclohexyl(isocyano)methyl]sulfonyl-4-methylbenzene
CID 98042614
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
1-methyl-4-(1-nitroethylsulfonyl)benzene
CID 12512634
2-cyclohexyl-3-(4-methylphenyl)sulfonylbut-1-en-1-one
CID 174800022
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
2-[3-[1-(4-methylphenyl)sulfonylethyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 153293620
[(2S)-2-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)ethyl]azanium
CID 9168606
[4-hydroxy-3-[1-(4-methylphenyl)sulfonylethyl]piperidin-1-yl]-phenylmethanone
CID 67613437
1-(4-methylphenyl)sulfonylethyl nitrite
CID 174973113
1-[(3,5-dimethylphenyl)sulfonyl-(4-methylphenyl)sulfonylmethyl]sulfonyl-3,5-dimethylbenzene
CID 153470127

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene?
The IUPAC name of 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene (CID 135078085) is 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene?
The canonical SMILES for 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene is Cc1ccc(S(=O)(=O)C(C)C2CC2)cc1.
What is the InChIKey of 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene?
The InChIKey is NKWBVCIOZALHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9-3-7-12(8-4-9)15(13,14)10(2)11-5-6-11/h3-4,7-8,10-11H,5-6H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene?
1-(1-cyclopropylethylsulfonyl)-4-methylbenzene has a molecular weight of 224.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylsulfonyl)-4-methylbenzene is sourced from PubChem (CID 135078085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).