4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide

C15H25N3O2S — CID 43508114

IUPAC4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
SMILESCNC(C)c1cccc(NS(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-12-7-9-18(10-8-12)21(19,20)17-15-6-4-5-14(11-15)13(2)16-3/h4-6,11-13,16-17H,7-10H2,1-3H3
InChIKeyWVAJSISLZSEJRM-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.36
Rot. Bonds5

About 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide

4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide (PubChem CID 43508114) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
PubChem CID43508114
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
SMILESCNC(C)c1cccc(NS(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-12-7-9-18(10-8-12)21(19,20)17-15-6-4-5-14(11-15)13(2)16-3/h4-6,11-13,16-17H,7-10H2,1-3H3
InChIKeyWVAJSISLZSEJRM-UHFFFAOYSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43508625
4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508068
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 60814956
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline
CID 114814952
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63902333

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide?
The IUPAC name of 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide (CID 43508114) is 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide is CNC(C)c1cccc(NS(=O)(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide?
The InChIKey is WVAJSISLZSEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-7-9-18(10-8-12)21(19,20)17-15-6-4-5-14(11-15)13(2)16-3/h4-6,11-13,16-17H,7-10H2,1-3H3.
What are the key properties of 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide?
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43508114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).