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

C13H21N3O2S — CID 61222384

IUPAC4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCN1CCCC(NS(=O)(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C13H21N3O2S/c1-16-8-2-3-12(10-16)15-19(17,18)13-6-4-11(9-14)5-7-13/h4-7,12,15H,2-3,8-10,14H2,1H3
InChIKeyIHFXRWHTCMEZMW-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.52
Rot. Bonds4

About 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide

4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 61222384) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID61222384
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCN1CCCC(NS(=O)(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C13H21N3O2S/c1-16-8-2-3-12(10-16)15-19(17,18)13-6-4-11(9-14)5-7-13/h4-7,12,15H,2-3,8-10,14H2,1H3
InChIKeyIHFXRWHTCMEZMW-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

4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 61211616
2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222385
2-[4-[(1-methylpyrrolidin-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 79186151
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
N-(1-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684087
2-iodo-5-[(1-methylpiperidin-3-yl)sulfamoyl]benzoic acid
CID 103962394
4-[2-(methylamino)ethoxy]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052280
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61222738

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide (CID 61222384) is 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide is CN1CCCC(NS(=O)(=O)c2ccc(CN)cc2)C1.
What is the InChIKey of 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is IHFXRWHTCMEZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16-8-2-3-12(10-16)15-19(17,18)13-6-4-11(9-14)5-7-13/h4-7,12,15H,2-3,8-10,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
4-(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 4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 61222384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).