N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide

C15H25N3O2S — CID 110404077

IUPACN-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
SMILESCN1CCN(C(CNS(C)(=O)=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-17-8-10-18(11-9-17)15(13-16-21(2,19)20)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyHFILMEATUMIMCQ-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.39
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide

N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide (PubChem CID 110404077) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
PubChem CID110404077
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
SMILESCN1CCN(C(CNS(C)(=O)=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-17-8-10-18(11-9-17)15(13-16-21(2,19)20)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyHFILMEATUMIMCQ-UHFFFAOYSA-N
XLogP0.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(ethylsulfamoyl)-3-phenyl-2-pyrrolidin-1-ylpropan-1-amine
CID 110611088
N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide
CID 110403684
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]butanamide
CID 110404076
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide
CID 110404018
N-(2-morpholin-4-yl-3-phenylpropyl)benzenesulfonamide
CID 110403847
2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404026
1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 110403948
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404030
3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404024
N-(2-benzyl-3-methylbutyl)methanesulfonamide
CID 91651363
1-(4-methylpiperazin-1-yl)-2-phenylethanol
CID 173220641
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 71784608

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide (CID 110404077) is N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide is CN1CCN(C(CNS(C)(=O)=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide?
The InChIKey is HFILMEATUMIMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17-8-10-18(11-9-17)15(13-16-21(2,19)20)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide?
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide is sourced from PubChem (CID 110404077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).