1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide

C15H22N2O4S — CID 974895

IUPAC1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2O)CC1
InChIInChI=1S/C15H22N2O4S/c1-3-22(20,21)17-8-6-12(7-9-17)15(19)16-13-10-11(2)4-5-14(13)18/h4-5,10,12,18H,3,6-9H2,1-2H3,(H,16,19)
InChIKeySSGANXXXQPFWGE-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.70
Rot. Bonds4

About 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide (PubChem CID 974895) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide
PubChem CID974895
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2O)CC1
InChIInChI=1S/C15H22N2O4S/c1-3-22(20,21)17-8-6-12(7-9-17)15(19)16-13-10-11(2)4-5-14(13)18/h4-5,10,12,18H,3,6-9H2,1-2H3,(H,16,19)
InChIKeySSGANXXXQPFWGE-UHFFFAOYSA-N
XLogP1.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide (CID 974895) is 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2O)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide?
The InChIKey is SSGANXXXQPFWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-22(20,21)17-8-6-12(7-9-17)15(19)16-13-10-11(2)4-5-14(13)18/h4-5,10,12,18H,3,6-9H2,1-2H3,(H,16,19).
What are the key properties of 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2-hydroxy-5-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 974895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).