1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol

C14H22N2O3S — CID 81096527

IUPAC1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCc1cc(N)cc(S(=O)(=O)N2CCC(C)(O)CC2)c1C
InChIInChI=1S/C14H22N2O3S/c1-10-8-12(15)9-13(11(10)2)20(18,19)16-6-4-14(3,17)5-7-16/h8-9,17H,4-7,15H2,1-3H3
InChIKeyARLJKFNRPHCLTJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.42
Rot. Bonds2

About 1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol

1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81096527) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81096527
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCc1cc(N)cc(S(=O)(=O)N2CCC(C)(O)CC2)c1C
InChIInChI=1S/C14H22N2O3S/c1-10-8-12(15)9-13(11(10)2)20(18,19)16-6-4-14(3,17)5-7-16/h8-9,17H,4-7,15H2,1-3H3
InChIKeyARLJKFNRPHCLTJ-UHFFFAOYSA-N
XLogP1.42
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.42
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-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol (CID 81096527) is 1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol is Cc1cc(N)cc(S(=O)(=O)N2CCC(C)(O)CC2)c1C.
What is the InChIKey of 1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is ARLJKFNRPHCLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-8-12(15)9-13(11(10)2)20(18,19)16-6-4-14(3,17)5-7-16/h8-9,17H,4-7,15H2,1-3H3.
What are the key properties of 1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 298.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81096527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).