3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one

C13H16O2S — CID 64724919

IUPAC3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one
SMILESCc1ccccc1CS(=O)C1CCC(=O)C1
InChIInChI=1S/C13H16O2S/c1-10-4-2-3-5-11(10)9-16(15)13-7-6-12(14)8-13/h2-5,13H,6-9H2,1H3
InChIKeyOSGQTIURXKCCSE-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.37
Rot. Bonds3

About 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one

3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one (PubChem CID 64724919) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one
PubChem CID64724919
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one
SMILESCc1ccccc1CS(=O)C1CCC(=O)C1
InChIInChI=1S/C13H16O2S/c1-10-4-2-3-5-11(10)9-16(15)13-7-6-12(14)8-13/h2-5,13H,6-9H2,1H3
InChIKeyOSGQTIURXKCCSE-UHFFFAOYSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine
CID 81333753
4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658995
4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64657822
3-(3-methoxypropylsulfinyl)cyclopentan-1-one
CID 64724920
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
CID 115240249
3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
CID 64521537
(3R)-3-(2-methylanilino)cyclopentan-1-one
CID 124706751
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 79581971
3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide
CID 62365696
2-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 62721365

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one?
The IUPAC name of 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one (CID 64724919) is 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one is Cc1ccccc1CS(=O)C1CCC(=O)C1.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one?
The InChIKey is OSGQTIURXKCCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-10-4-2-3-5-11(10)9-16(15)13-7-6-12(14)8-13/h2-5,13H,6-9H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one?
3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one has a molecular weight of 236.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one is sourced from PubChem (CID 64724919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).