methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate

C15H20O3S — CID 15814381

IUPACmethyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(SCc2ccc(OC)cc2)CCCC1
InChIInChI=1S/C15H20O3S/c1-17-13-7-5-12(6-8-13)11-19-15(14(16)18-2)9-3-4-10-15/h5-8H,3-4,9-11H2,1-2H3
InChIKeyLRAQXCZYWMNOAJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.41
Rot. Bonds5

About methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate

methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate (PubChem CID 15814381) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate
PubChem CID15814381
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Namemethyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(SCc2ccc(OC)cc2)CCCC1
InChIInChI=1S/C15H20O3S/c1-17-13-7-5-12(6-8-13)11-19-15(14(16)18-2)9-3-4-10-15/h5-8H,3-4,9-11H2,1-2H3
InChIKeyLRAQXCZYWMNOAJ-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxo-2-(2,4,6-trimethylphenyl)propanoate
CID 21216920
N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide
CID 142228243
(2S)-2-[[(2S)-2-[[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 54356761
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82131438
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
2-[(4-methoxyphenyl)methylsulfanyl]acetyl chloride
CID 13273375
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate (CID 15814381) is methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate is COC(=O)C1(SCc2ccc(OC)cc2)CCCC1.
What is the InChIKey of methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate?
The InChIKey is LRAQXCZYWMNOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c1-17-13-7-5-12(6-8-13)11-19-15(14(16)18-2)9-3-4-10-15/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate?
methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate has a molecular weight of 280.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 15814381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).