[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride

C13H19BrClFN2O2S — CID 119984882

IUPAC[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1CN.Cl
InChIInChI=1S/C13H18BrFN2O2S.ClH/c1-9-3-2-6-17(12(9)8-16)20(18,19)13-5-4-10(15)7-11(13)14;/h4-5,7,9,12H,2-3,6,8,16H2,1H3;1H
InChIKeyYLHVZBFORDNFPF-UHFFFAOYSA-N
MW401.73 g/mol
LogP2.76
Rot. Bonds3

About [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride

[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119984882) has the molecular formula C13H19BrClFN2O2S and a molecular weight of 401.73 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119984882
Molecular FormulaC13H19BrClFN2O2S
Molecular Weight401.73 g/mol
Exact Mass400.00
IUPAC Name[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1CN.Cl
InChIInChI=1S/C13H18BrFN2O2S.ClH/c1-9-3-2-6-17(12(9)8-16)20(18,19)13-5-4-10(15)7-11(13)14;/h4-5,7,9,12H,2-3,6,8,16H2,1H3;1H
InChIKeyYLHVZBFORDNFPF-UHFFFAOYSA-N
XLogP2.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride 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

[1-(2,4-difluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984795
[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786226
[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783740
[1-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984801
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 107328297
[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984863
[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 102553899
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 119984868
[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124701057
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
CID 93302829
[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783770

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride (CID 119984882) is [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride is CC1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1CN.Cl.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is YLHVZBFORDNFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S.ClH/c1-9-3-2-6-17(12(9)8-16)20(18,19)13-5-4-10(15)7-11(13)14;/h4-5,7,9,12H,2-3,6,8,16H2,1H3;1H.
What are the key properties of [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride?
[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 401.73 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119984882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).