N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide

C22H29N3O2S — CID 89265421

IUPACN-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide
SMILESC=C(c1ccc(C)c(NS(C)(=O)=O)c1)N1CCC(c2ccc(CN)cc2)CC1
InChIInChI=1S/C22H29N3O2S/c1-16-4-7-21(14-22(16)24-28(3,26)27)17(2)25-12-10-20(11-13-25)19-8-5-18(15-23)6-9-19/h4-9,14,20,24H,2,10-13,15,23H2,1,3H3
InChIKeyQXZXCOPNODKZEH-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.68
Rot. Bonds6

About N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide

N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide (PubChem CID 89265421) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide
PubChem CID89265421
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide
SMILESC=C(c1ccc(C)c(NS(C)(=O)=O)c1)N1CCC(c2ccc(CN)cc2)CC1
InChIInChI=1S/C22H29N3O2S/c1-16-4-7-21(14-22(16)24-28(3,26)27)17(2)25-12-10-20(11-13-25)19-8-5-18(15-23)6-9-19/h4-9,14,20,24H,2,10-13,15,23H2,1,3H3
InChIKeyQXZXCOPNODKZEH-UHFFFAOYSA-N
XLogP3.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]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

ethane;formaldehyde;4-[1-[1-[4-methyl-3-[[methylidene-[(4-methylphenyl)methyl]-oxo-λ6-sulfanyl]amino]phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 143698923
N-[2-methyl-5-[4-(4-methylsulfonylphenyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 25153153
2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide
CID 68945175
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-(4-methylsulfonylphenyl)methanesulfonamide
CID 89194941
N-[5-[4-[4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]piperidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 68945596
N-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide
CID 89273037
2-hydroxy-4-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N-[[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]methyl]-N',N',2-trimethylpentanediamide
CID 87720466
1-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]-3-(3-methylbutan-2-yl)urea
CID 143698584
N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 119632504
butane;6-(butylamino)pyridine-3-carbaldehyde;5-[1-[4-(4-ethylphenyl)piperidin-1-yl]ethenyl]-N,2-dimethylaniline
CID 143672773
N-[2-methyl-5-[4-[3-(1,3-thiazol-5-yl)phenyl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 68948884
1-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]-3-(2-pyridin-2-ylethyl)urea
CID 143698728

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide (CID 89265421) is N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide is C=C(c1ccc(C)c(NS(C)(=O)=O)c1)N1CCC(c2ccc(CN)cc2)CC1.
What is the InChIKey of N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide?
The InChIKey is QXZXCOPNODKZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-16-4-7-21(14-22(16)24-28(3,26)27)17(2)25-12-10-20(11-13-25)19-8-5-18(15-23)6-9-19/h4-9,14,20,24H,2,10-13,15,23H2,1,3H3.
What are the key properties of N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide?
N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide has a molecular weight of 399.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 89265421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).