2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide

C15H21FN2O3S — CID 142832571

IUPAC2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(S(=O)CCO)CCN1C(N)=O
InChIInChI=1S/C15H21FN2O3S/c1-10-8-11(16)2-3-13(10)14-9-12(22(21)7-6-19)4-5-18(14)15(17)20/h2-3,8,12,14,19H,4-7,9H2,1H3,(H2,17,20)
InChIKeyLYXOXYRWCOBWKT-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide

2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide (PubChem CID 142832571) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide
PubChem CID142832571
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(S(=O)CCO)CCN1C(N)=O
InChIInChI=1S/C15H21FN2O3S/c1-10-8-11(16)2-3-13(10)14-9-12(22(21)7-6-19)4-5-18(14)15(17)20/h2-3,8,12,14,19H,4-7,9H2,1H3,(H2,17,20)
InChIKeyLYXOXYRWCOBWKT-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide (CID 142832571) is 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide is Cc1cc(F)ccc1C1CC(S(=O)CCO)CCN1C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide?
The InChIKey is LYXOXYRWCOBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-10-8-11(16)2-3-13(10)14-9-12(22(21)7-6-19)4-5-18(14)15(17)20/h2-3,8,12,14,19H,4-7,9H2,1H3,(H2,17,20).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide?
2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxyethylsulfinyl)piperidine-1-carboxamide is sourced from PubChem (CID 142832571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).