N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

C16H24N2O3S — CID 848133

IUPACN-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O3S/c1-14-8-10-17(11-9-14)16(19)13-18(22(2,20)21)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyYCTBACBBBJUPTJ-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.71
Rot. Bonds5

About N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 848133) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID848133
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O3S/c1-14-8-10-17(11-9-14)16(19)13-18(22(2,20)21)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyYCTBACBBBJUPTJ-UHFFFAOYSA-N
XLogP1.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.71
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-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 848133) is N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is CC1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is YCTBACBBBJUPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-14-8-10-17(11-9-14)16(19)13-18(22(2,20)21)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-benzyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.71, 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-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 848133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).