[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol

C13H19NOS — CID 116944221

IUPAC[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
SMILESCSc1ccc(C(N)C2(CO)CCC2)cc1
InChIInChI=1S/C13H19NOS/c1-16-11-5-3-10(4-6-11)12(14)13(9-15)7-2-8-13/h3-6,12,15H,2,7-9,14H2,1H3
InChIKeyMNJNMZNQGSCEPW-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.57
Rot. Bonds4

About [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol

[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol (PubChem CID 116944221) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
PubChem CID116944221
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
SMILESCSc1ccc(C(N)C2(CO)CCC2)cc1
InChIInChI=1S/C13H19NOS/c1-16-11-5-3-10(4-6-11)12(14)13(9-15)7-2-8-13/h3-6,12,15H,2,7-9,14H2,1H3
InChIKeyMNJNMZNQGSCEPW-UHFFFAOYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine
CID 116943422
[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
CID 116944152
[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol
CID 116944203
[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
CID 116944240
[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
CID 116944258
[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
CID 116944249
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
CID 116944173
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944096
2-[amino-(4-methylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116945647
[1-[amino(pyridin-2-yl)methyl]cyclobutyl]methanol
CID 116944252

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol (CID 116944221) is [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol is CSc1ccc(C(N)C2(CO)CCC2)cc1.
What is the InChIKey of [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol?
The InChIKey is MNJNMZNQGSCEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-16-11-5-3-10(4-6-11)12(14)13(9-15)7-2-8-13/h3-6,12,15H,2,7-9,14H2,1H3.
What are the key properties of [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol?
[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol has a molecular weight of 237.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).