N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide

C15H22N2O3S — CID 110347396

IUPACN-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)16-14(12-13-8-4-2-5-9-13)15(18)17-10-6-3-7-11-17/h2,4-5,8-9,14,16H,3,6-7,10-12H2,1H3/t14-/m0/s1
InChIKeyLDTMFJNIVWWOSF-AWEZNQCLSA-N
MW310.42 g/mol
LogP1.16
Rot. Bonds5

About N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide (PubChem CID 110347396) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
PubChem CID110347396
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)16-14(12-13-8-4-2-5-9-13)15(18)17-10-6-3-7-11-17/h2,4-5,8-9,14,16H,3,6-7,10-12H2,1H3/t14-/m0/s1
InChIKeyLDTMFJNIVWWOSF-AWEZNQCLSA-N
XLogP1.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30142830
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347324
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
3,5-dimethyl-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 110347343
2-methoxy-5-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 43888990
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
4-methoxy-3-methyl-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30143745
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 122175082

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide (CID 110347396) is N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide is CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide?
The InChIKey is LDTMFJNIVWWOSF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(19,20)16-14(12-13-8-4-2-5-9-13)15(18)17-10-6-3-7-11-17/h2,4-5,8-9,14,16H,3,6-7,10-12H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide?
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 110347396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).