[1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol

C11H15NOS — CID 116994280

IUPAC[1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol
SMILESNc1ccc(C2(CO)CCC2)cc1S
InChIInChI=1S/C11H15NOS/c12-9-3-2-8(6-10(9)14)11(7-13)4-1-5-11/h2-3,6,13-14H,1,4-5,7,12H2
InChIKeyPUYWKOPRQUFTNO-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.97
Rot. Bonds2

About [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol

[1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol (PubChem CID 116994280) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol
PubChem CID116994280
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name[1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol
SMILESNc1ccc(C2(CO)CCC2)cc1S
InChIInChI=1S/C11H15NOS/c12-9-3-2-8(6-10(9)14)11(7-13)4-1-5-11/h2-3,6,13-14H,1,4-5,7,12H2
InChIKeyPUYWKOPRQUFTNO-UHFFFAOYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol?
The IUPAC name of [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol (CID 116994280) is [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol?
The canonical SMILES for [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol is Nc1ccc(C2(CO)CCC2)cc1S.
What is the InChIKey of [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol?
The InChIKey is PUYWKOPRQUFTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-9-3-2-8(6-10(9)14)11(7-13)4-1-5-11/h2-3,6,13-14H,1,4-5,7,12H2.
What are the key properties of [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol?
[1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol has a molecular weight of 209.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-3-sulfanylphenyl)cyclobutyl]methanol is sourced from PubChem (CID 116994280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).