5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol

C13H19NOS — CID 117347766

IUPAC5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1C1(N)CCCC1
InChIInChI=1S/C13H19NOS/c1-9-7-12(16-2)10(8-11(9)15)13(14)5-3-4-6-13/h7-8,15H,3-6,14H2,1-2H3
InChIKeyXUPJXSYLBYZAFF-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.15
Rot. Bonds2

About 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol

5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol (PubChem CID 117347766) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol.

Molecular Properties

Compound Name5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
PubChem CID117347766
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1C1(N)CCCC1
InChIInChI=1S/C13H19NOS/c1-9-7-12(16-2)10(8-11(9)15)13(14)5-3-4-6-13/h7-8,15H,3-6,14H2,1-2H3
InChIKeyXUPJXSYLBYZAFF-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
CID 117320752
1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117420301
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
2-(1-aminocyclohexyl)-4-methylsulfanylphenol
CID 117347880
1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclobutan-1-amine
CID 117381878
1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117343770
2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
CID 117382283
1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 84798785
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol
CID 117355604

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol?
The IUPAC name of 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol (CID 117347766) is 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol.
What is the SMILES notation for 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol?
The canonical SMILES for 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol is CSc1cc(C)c(O)cc1C1(N)CCCC1.
What is the InChIKey of 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol?
The InChIKey is XUPJXSYLBYZAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-7-12(16-2)10(8-11(9)15)13(14)5-3-4-6-13/h7-8,15H,3-6,14H2,1-2H3.
What are the key properties of 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol?
5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol has a molecular weight of 237.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol is sourced from PubChem (CID 117347766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).