(5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one

C18H19NO3S — CID 71728764

IUPAC(5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one
SMILESCN1C(=O)CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NO3S/c1-19-17(20)13-12-16(18(19)14-8-4-2-5-9-14)23(21,22)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-,18+/m1/s1
InChIKeyZXCUHCROXVIJJP-AEFFLSMTSA-N
MW329.42 g/mol
LogP2.82
Rot. Bonds3

About (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one

(5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one (PubChem CID 71728764) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one
PubChem CID71728764
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name(5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one
SMILESCN1C(=O)CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NO3S/c1-19-17(20)13-12-16(18(19)14-8-4-2-5-9-14)23(21,22)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-,18+/m1/s1
InChIKeyZXCUHCROXVIJJP-AEFFLSMTSA-N
XLogP2.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one?
The IUPAC name of (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one (CID 71728764) is (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one.
What is the SMILES notation for (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one?
The canonical SMILES for (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one is CN1C(=O)CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one?
The InChIKey is ZXCUHCROXVIJJP-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-19-17(20)13-12-16(18(19)14-8-4-2-5-9-14)23(21,22)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-,18+/m1/s1.
What are the key properties of (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one?
(5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one has a molecular weight of 329.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one is sourced from PubChem (CID 71728764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).