N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

C15H22N2O3S — CID 848132

IUPACN-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)17(12-14-8-4-2-5-9-14)13-15(18)16-10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeyNYXDCFPLPBHQIA-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.46
Rot. Bonds5

About N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 848132) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID848132
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)17(12-14-8-4-2-5-9-14)13-15(18)16-10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeyNYXDCFPLPBHQIA-UHFFFAOYSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 848132) is N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is NYXDCFPLPBHQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(19,20)17(12-14-8-4-2-5-9-14)13-15(18)16-10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-13H2,1H3.
What are the key properties of N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 848132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).