[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

C12H18BrClN2O2S — CID 119963995

IUPAC[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C12H17BrN2O2S.ClH/c13-11-3-1-2-4-12(11)18(16,17)15-7-5-10(9-14)6-8-15;/h1-4,10H,5-9,14H2;1H
InChIKeySHXMVIZLBMWWJW-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.23
Rot. Bonds3

About [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (PubChem CID 119963995) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
PubChem CID119963995
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C12H17BrN2O2S.ClH/c13-11-3-1-2-4-12(11)18(16,17)15-7-5-10(9-14)6-8-15;/h1-4,10H,5-9,14H2;1H
InChIKeySHXMVIZLBMWWJW-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
[1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine
CID 120999452
[1-(2-bromo-5-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963828
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
[1-(2-bromo-3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708440
[1-(2,4-dibromophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971871
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine
CID 120705916

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (CID 119963995) is [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The InChIKey is SHXMVIZLBMWWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c13-11-3-1-2-4-12(11)18(16,17)15-7-5-10(9-14)6-8-15;/h1-4,10H,5-9,14H2;1H.
What are the key properties of [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride has a molecular weight of 369.71 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119963995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).