1-(cyclopentylmethylsulfinyl)-3-propylbenzene

C15H22OS — CID 68641839

IUPAC1-(cyclopentylmethylsulfinyl)-3-propylbenzene
SMILESCCCc1cccc(S(=O)CC2CCCC2)c1
InChIInChI=1S/C15H22OS/c1-2-6-13-9-5-10-15(11-13)17(16)12-14-7-3-4-8-14/h5,9-11,14H,2-4,6-8,12H2,1H3
InChIKeyOIAXUVVAOJNIAQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.94
Rot. Bonds5

About 1-(cyclopentylmethylsulfinyl)-3-propylbenzene

1-(cyclopentylmethylsulfinyl)-3-propylbenzene (PubChem CID 68641839) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfinyl)-3-propylbenzene.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfinyl)-3-propylbenzene
PubChem CID68641839
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name1-(cyclopentylmethylsulfinyl)-3-propylbenzene
SMILESCCCc1cccc(S(=O)CC2CCCC2)c1
InChIInChI=1S/C15H22OS/c1-2-6-13-9-5-10-15(11-13)17(16)12-14-7-3-4-8-14/h5,9-11,14H,2-4,6-8,12H2,1H3
InChIKeyOIAXUVVAOJNIAQ-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfinyl)-3-propylbenzene?
The IUPAC name of 1-(cyclopentylmethylsulfinyl)-3-propylbenzene (CID 68641839) is 1-(cyclopentylmethylsulfinyl)-3-propylbenzene.
What is the SMILES notation for 1-(cyclopentylmethylsulfinyl)-3-propylbenzene?
The canonical SMILES for 1-(cyclopentylmethylsulfinyl)-3-propylbenzene is CCCc1cccc(S(=O)CC2CCCC2)c1.
What is the InChIKey of 1-(cyclopentylmethylsulfinyl)-3-propylbenzene?
The InChIKey is OIAXUVVAOJNIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-2-6-13-9-5-10-15(11-13)17(16)12-14-7-3-4-8-14/h5,9-11,14H,2-4,6-8,12H2,1H3.
What are the key properties of 1-(cyclopentylmethylsulfinyl)-3-propylbenzene?
1-(cyclopentylmethylsulfinyl)-3-propylbenzene has a molecular weight of 250.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfinyl)-3-propylbenzene is sourced from PubChem (CID 68641839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).