2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide

C13H21N3O2S — CID 61222385

IUPAC2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCN1CCCC(NS(=O)(=O)c2ccccc2CN)C1
InChIInChI=1S/C13H21N3O2S/c1-16-8-4-6-12(10-16)15-19(17,18)13-7-3-2-5-11(13)9-14/h2-3,5,7,12,15H,4,6,8-10,14H2,1H3
InChIKeyQFXOZQLPSNUUHH-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.52
Rot. Bonds4

About 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide

2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 61222385) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID61222385
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCN1CCCC(NS(=O)(=O)c2ccccc2CN)C1
InChIInChI=1S/C13H21N3O2S/c1-16-8-4-6-12(10-16)15-19(17,18)13-7-3-2-5-11(13)9-14/h2-3,5,7,12,15H,4,6,8-10,14H2,1H3
InChIKeyQFXOZQLPSNUUHH-UHFFFAOYSA-N
XLogP0.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684087
2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62146904
4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222384
3-[(1-methylpiperidin-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596742
2-(2-aminoethyl)-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052637
3-amino-5-bromo-2-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 114379259
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63661206
3-(aminomethyl)-5-chloro-2-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052686
N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 82506999

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide (CID 61222385) is 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide is CN1CCCC(NS(=O)(=O)c2ccccc2CN)C1.
What is the InChIKey of 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is QFXOZQLPSNUUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16-8-4-6-12(10-16)15-19(17,18)13-7-3-2-5-11(13)9-14/h2-3,5,7,12,15H,4,6,8-10,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 61222385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).