N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide

C15H25N3O2S — CID 60921183

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-13-7-9-18(10-8-13)21(19,20)17(2)12-15-5-3-14(11-16)4-6-15/h3-6,13H,7-12,16H2,1-2H3
InChIKeyROCHZLKLCSJYQU-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.55
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide

N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide (PubChem CID 60921183) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
PubChem CID60921183
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-13-7-9-18(10-8-13)21(19,20)17(2)12-15-5-3-14(11-16)4-6-15/h3-6,13H,7-12,16H2,1-2H3
InChIKeyROCHZLKLCSJYQU-UHFFFAOYSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine
CID 63623208
4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide
CID 63594648
N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
CID 61013841
(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
CID 115301795
1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 114958571
N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide
CID 64518242
N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide
CID 54979213
[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106996541
N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpiperidine-1-sulfonamide
CID 79388046
N-(1-amino-2-methylpropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide
CID 62007441
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134025746
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 134025751

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide (CID 60921183) is N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(C)Cc2ccc(CN)cc2)CC1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide?
The InChIKey is ROCHZLKLCSJYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13-7-9-18(10-8-13)21(19,20)17(2)12-15-5-3-14(11-16)4-6-15/h3-6,13H,7-12,16H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide?
N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 60921183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).