N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C17H23N3O3S — CID 129421952

IUPACN-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCN1CCC[C@@H](CNS(=O)(=O)Cc2ccon2)[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O3S/c1-20-10-5-8-15(17(20)14-6-3-2-4-7-14)12-18-24(21,22)13-16-9-11-23-19-16/h2-4,6-7,9,11,15,17-18H,5,8,10,12-13H2,1H3/t15-,17+/m0/s1
InChIKeyFHHCXUCJOCUOQQ-DOTOQJQBSA-N
MW349.46 g/mol
LogP2.18
Rot. Bonds6

About N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 129421952) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID129421952
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCN1CCC[C@@H](CNS(=O)(=O)Cc2ccon2)[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O3S/c1-20-10-5-8-15(17(20)14-6-3-2-4-7-14)12-18-24(21,22)13-16-9-11-23-19-16/h2-4,6-7,9,11,15,17-18H,5,8,10,12-13H2,1H3/t15-,17+/m0/s1
InChIKeyFHHCXUCJOCUOQQ-DOTOQJQBSA-N
XLogP2.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 129421952) is N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is CN1CCC[C@@H](CNS(=O)(=O)Cc2ccon2)[C@H]1c1ccccc1.
What is the InChIKey of N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is FHHCXUCJOCUOQQ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-20-10-5-8-15(17(20)14-6-3-2-4-7-14)12-18-24(21,22)13-16-9-11-23-19-16/h2-4,6-7,9,11,15,17-18H,5,8,10,12-13H2,1H3/t15-,17+/m0/s1.
What are the key properties of N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 129421952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).