N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide

C15H25N3O2S — CID 62545781

IUPACN-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-16-11-13-6-8-15(9-7-13)21(19,20)18(3)14-5-4-10-17(2)12-14/h6-9,14,16H,4-5,10-12H2,1-3H3
InChIKeyUBMKBMXHPFBYLA-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.12
Rot. Bonds5

About N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide

N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 62545781) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID62545781
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-16-11-13-6-8-15(9-7-13)21(19,20)18(3)14-5-4-10-17(2)12-14/h6-9,14,16H,4-5,10-12H2,1-3H3
InChIKeyUBMKBMXHPFBYLA-UHFFFAOYSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 129391721
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63705715
4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62546053
4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115672016
N-methyl-4-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860031
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 54995263
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide (CID 62545781) is N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)N(C)C2CCCN(C)C2)cc1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is UBMKBMXHPFBYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16-11-13-6-8-15(9-7-13)21(19,20)18(3)14-5-4-10-17(2)12-14/h6-9,14,16H,4-5,10-12H2,1-3H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62545781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).