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

C15H23N3O3S — CID 848134

IUPACN-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S/c1-16-8-10-17(11-9-16)15(19)13-18(22(2,20)21)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyLNCUXAQLYCWHBZ-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.22
Rot. Bonds5

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

N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 848134) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID848134
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S/c1-16-8-10-17(11-9-16)15(19)13-18(22(2,20)21)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyLNCUXAQLYCWHBZ-UHFFFAOYSA-N
XLogP0.22
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 848134) is N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is CN1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is LNCUXAQLYCWHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-16-8-10-17(11-9-16)15(19)13-18(22(2,20)21)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 848134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).