N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

C14H22BrN3O2S — CID 106064498

IUPACN-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C14H22BrN3O2S/c1-11-3-4-13(9-14(11)15)17-21(19,20)18-7-5-12(6-8-18)10-16-2/h3-4,9,12,16-17H,5-8,10H2,1-2H3
InChIKeyPLRPEQIHFGLDSB-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.35
Rot. Bonds5

About N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106064498) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106064498
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC NameN-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C14H22BrN3O2S/c1-11-3-4-13(9-14(11)15)17-21(19,20)18-7-5-12(6-8-18)10-16-2/h3-4,9,12,16-17H,5-8,10H2,1-2H3
InChIKeyPLRPEQIHFGLDSB-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106060062
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070852
4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
CID 106057817
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106063201
1-[1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120709723
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
CID 106084219
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245
1-[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978133
1-[1-(2-bromo-4-chlorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120709705

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106064498) is N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)Nc2ccc(C)c(Br)c2)CC1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is PLRPEQIHFGLDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-11-3-4-13(9-14(11)15)17-21(19,20)18-7-5-12(6-8-18)10-16-2/h3-4,9,12,16-17H,5-8,10H2,1-2H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106064498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).