N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

C17H26N2O3S — CID 113138968

IUPACN-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCc1ccc(CN(CCC(=O)N2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-15-6-8-16(9-7-15)14-19(23(2,21)22)13-10-17(20)18-11-4-3-5-12-18/h6-9H,3-5,10-14H2,1-2H3
InChIKeyNCUFBTOEDIYPBV-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.16
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 113138968) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID113138968
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCc1ccc(CN(CCC(=O)N2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-15-6-8-16(9-7-15)14-19(23(2,21)22)13-10-17(20)18-11-4-3-5-12-18/h6-9H,3-5,10-14H2,1-2H3
InChIKeyNCUFBTOEDIYPBV-UHFFFAOYSA-N
XLogP2.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139306
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 113139023
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137529
N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139188
N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138969
2,4,6-trimethyl-N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319234
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113151239
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113138450
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113139575
N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151736
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 113142063

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (CID 113138968) is N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is Cc1ccc(CN(CCC(=O)N2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is NCUFBTOEDIYPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-15-6-8-16(9-7-15)14-19(23(2,21)22)13-10-17(20)18-11-4-3-5-12-18/h6-9H,3-5,10-14H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113138968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).