[4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine

C15H23BrN2O2S — CID 114364518

IUPAC[4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine
SMILESCCC1CCN(S(=O)(=O)c2cc(CN)cc(C)c2Br)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-3-12-4-6-18(7-5-12)21(19,20)14-9-13(10-17)8-11(2)15(14)16/h8-9,12H,3-7,10,17H2,1-2H3
InChIKeyJGLJTARIWHFXKC-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.03
Rot. Bonds4

About [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine

[4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine (PubChem CID 114364518) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine
PubChem CID114364518
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name[4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine
SMILESCCC1CCN(S(=O)(=O)c2cc(CN)cc(C)c2Br)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-3-12-4-6-18(7-5-12)21(19,20)14-9-13(10-17)8-11(2)15(14)16/h8-9,12H,3-7,10,17H2,1-2H3
InChIKeyJGLJTARIWHFXKC-UHFFFAOYSA-N
XLogP3.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-4-fluorobenzenesulfonamide
CID 47812233
[5-Bromo-2-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 65732463
1-[5-bromo-2-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 65734191
[5-Bromo-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorophenyl]methanamine
CID 65746741
1-[5-bromo-2-fluoro-3-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 65747902
[5-Bromo-2-fluoro-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 65749229
2-bromo-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65772049
5-(aminomethyl)-2-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65772050
[5-Bromo-3-(3-ethylpiperidin-1-yl)sulfonyl-2-fluorophenyl]methanamine
CID 65774095
[5-Bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-2-fluorophenyl]methanamine
CID 65779573
[5-Bromo-3-(2,4-dimethylpiperidin-1-yl)sulfonyl-2-fluorophenyl]methanamine
CID 65781998
5-(aminomethyl)-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65785201

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine?
The IUPAC name of [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine (CID 114364518) is [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine.
What is the SMILES notation for [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine?
The canonical SMILES for [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine is CCC1CCN(S(=O)(=O)c2cc(CN)cc(C)c2Br)CC1.
What is the InChIKey of [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine?
The InChIKey is JGLJTARIWHFXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-3-12-4-6-18(7-5-12)21(19,20)14-9-13(10-17)8-11(2)15(14)16/h8-9,12H,3-7,10,17H2,1-2H3.
What are the key properties of [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine?
[4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine has a molecular weight of 375.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine is sourced from PubChem (CID 114364518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).