1-(cyclopentylmethylsulfinyl)-3-methoxybenzene

C13H18O2S — CID 75515923

IUPAC1-(cyclopentylmethylsulfinyl)-3-methoxybenzene
SMILESCOc1cccc(S(=O)CC2CCCC2)c1
InChIInChI=1S/C13H18O2S/c1-15-12-7-4-8-13(9-12)16(14)10-11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,10H2,1H3
InChIKeyFUADSRWTTQBFSI-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.99
Rot. Bonds4

About 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene

1-(cyclopentylmethylsulfinyl)-3-methoxybenzene (PubChem CID 75515923) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfinyl)-3-methoxybenzene
PubChem CID75515923
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-(cyclopentylmethylsulfinyl)-3-methoxybenzene
SMILESCOc1cccc(S(=O)CC2CCCC2)c1
InChIInChI=1S/C13H18O2S/c1-15-12-7-4-8-13(9-12)16(14)10-11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,10H2,1H3
InChIKeyFUADSRWTTQBFSI-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine
CID 64659518
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64659136
1-(3-methoxyphenyl)sulfinylbutan-2-one
CID 64640851
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
4-(3-methoxyphenyl)sulfinylbutanoic acid
CID 61304341
5-(3-methoxyphenyl)sulfinylpentanenitrile
CID 63791056
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide
CID 99841555
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
N-[3-(3-methoxyphenyl)sulfinylpropyl]-2-methylpropan-2-amine
CID 64659145
3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
CID 61302237
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene?
The IUPAC name of 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene (CID 75515923) is 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene.
What is the SMILES notation for 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene?
The canonical SMILES for 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene is COc1cccc(S(=O)CC2CCCC2)c1.
What is the InChIKey of 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene?
The InChIKey is FUADSRWTTQBFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-15-12-7-4-8-13(9-12)16(14)10-11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,10H2,1H3.
What are the key properties of 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene?
1-(cyclopentylmethylsulfinyl)-3-methoxybenzene has a molecular weight of 238.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfinyl)-3-methoxybenzene is sourced from PubChem (CID 75515923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).