N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide

C14H23N3O2S — CID 107802306

IUPACN-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)N2CCCC(C)C2)c1CN
InChIInChI=1S/C14H23N3O2S/c1-11-5-4-8-17(10-11)20(18,19)16-14-7-3-6-12(2)13(14)9-15/h3,6-7,11,16H,4-5,8-10,15H2,1-2H3
InChIKeyBCNNHEBSHNITOG-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.84
Rot. Bonds4

About N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide

N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 107802306) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
PubChem CID107802306
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)N2CCCC(C)C2)c1CN
InChIInChI=1S/C14H23N3O2S/c1-11-5-4-8-17(10-11)20(18,19)16-14-7-3-6-12(2)13(14)9-15/h3,6-7,11,16H,4-5,8-10,15H2,1-2H3
InChIKeyBCNNHEBSHNITOG-UHFFFAOYSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
3-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide
CID 43101869
N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43102128
N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 104814631
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380
N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide
CID 62354332
N-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide
CID 104592934
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 107640819
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide (CID 107802306) is N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide is Cc1cccc(NS(=O)(=O)N2CCCC(C)C2)c1CN.
What is the InChIKey of N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is BCNNHEBSHNITOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-5-4-8-17(10-11)20(18,19)16-14-7-3-6-12(2)13(14)9-15/h3,6-7,11,16H,4-5,8-10,15H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide?
N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 107802306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).