N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide

C14H23N3O2S — CID 60922991

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide
SMILESCN(Cc1ccccc1CN)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-16(12-14-8-4-3-7-13(14)11-15)20(18,19)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-12,15H2,1H3
InChIKeyJMMXJKPYRXRSIT-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.31
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide (PubChem CID 60922991) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide
PubChem CID60922991
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide
SMILESCN(Cc1ccccc1CN)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-16(12-14-8-4-3-7-13(14)11-15)20(18,19)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-12,15H2,1H3
InChIKeyJMMXJKPYRXRSIT-UHFFFAOYSA-N
XLogP1.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide (CID 60922991) is N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide is CN(Cc1ccccc1CN)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide?
The InChIKey is JMMXJKPYRXRSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16(12-14-8-4-3-7-13(14)11-15)20(18,19)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-12,15H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 60922991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).