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

C12H17NOS — CID 117320752

IUPAC5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1C1(N)CCC1
InChIInChI=1S/C12H17NOS/c1-8-6-11(15-2)9(7-10(8)14)12(13)4-3-5-12/h6-7,14H,3-5,13H2,1-2H3
InChIKeyJFOXONBBGREVTC-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.76
Rot. Bonds2

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

5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol (PubChem CID 117320752) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol.

Molecular Properties

Compound Name5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
PubChem CID117320752
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1C1(N)CCC1
InChIInChI=1S/C12H17NOS/c1-8-6-11(15-2)9(7-10(8)14)12(13)4-3-5-12/h6-7,14H,3-5,13H2,1-2H3
InChIKeyJFOXONBBGREVTC-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
CID 117347766
1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117420301
1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclobutan-1-amine
CID 117381878
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
5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol
CID 117355604
2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
CID 117382283
1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 84798785
3-(1-aminocyclobutyl)-2-methylphenol
CID 117277633
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117343770

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol?
The IUPAC name of 5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol (CID 117320752) is 5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol.
What is the SMILES notation for 5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol?
The canonical SMILES for 5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol is CSc1cc(C)c(O)cc1C1(N)CCC1.
What is the InChIKey of 5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol?
The InChIKey is JFOXONBBGREVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-6-11(15-2)9(7-10(8)14)12(13)4-3-5-12/h6-7,14H,3-5,13H2,1-2H3.
What are the key properties of 5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol?
5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol has a molecular weight of 223.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol is sourced from PubChem (CID 117320752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).