1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine

C12H17BrN2O2S — CID 120705873

IUPAC1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C12H17BrN2O2S/c1-9-8-10(13)2-3-12(9)18(16,17)15-6-4-11(14)5-7-15/h2-3,8,11H,4-7,14H2,1H3
InChIKeyJDBFERGLTLUZKI-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.87
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine

1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine (PubChem CID 120705873) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
PubChem CID120705873
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C12H17BrN2O2S/c1-9-8-10(13)2-3-12(9)18(16,17)15-6-4-11(14)5-7-15/h2-3,8,11H,4-7,14H2,1H3
InChIKeyJDBFERGLTLUZKI-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 119959333
(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 94340271
1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711384
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-(4-bromo-2-methylphenyl)sulfonyl-1,4-diazepan-5-one
CID 131963610
1-(2-bromo-4-methylsulfonylphenyl)sulfonylpiperidin-4-amine
CID 120998706
1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 120710828
5-bromo-2-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256810
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868686

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine (CID 120705873) is 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine is Cc1cc(Br)ccc1S(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is JDBFERGLTLUZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-9-8-10(13)2-3-12(9)18(16,17)15-6-4-11(14)5-7-15/h2-3,8,11H,4-7,14H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine?
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 333.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 120705873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).