1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol

C12H18N2O3S — CID 43383267

IUPAC1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1cccc(N)c1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C12H18N2O3S/c1-9-3-2-4-11(13)12(9)18(16,17)14-7-5-10(15)6-8-14/h2-4,10,15H,5-8,13H2,1H3
InChIKeyVQAWLJINUYFQNI-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.72
Rot. Bonds2

About 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol

1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol (PubChem CID 43383267) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol
PubChem CID43383267
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1cccc(N)c1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C12H18N2O3S/c1-9-3-2-4-11(13)12(9)18(16,17)14-7-5-10(15)6-8-14/h2-4,10,15H,5-8,13H2,1H3
InChIKeyVQAWLJINUYFQNI-UHFFFAOYSA-N
XLogP0.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol (CID 43383267) is 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol is Cc1cccc(N)c1S(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is VQAWLJINUYFQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-3-2-4-11(13)12(9)18(16,17)14-7-5-10(15)6-8-14/h2-4,10,15H,5-8,13H2,1H3.
What are the key properties of 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol?
1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 270.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 43383267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).