1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine

C12H16Br2N2O2S — CID 79868686

IUPAC1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2ccc(Br)cc2Br)CCC1N
InChIInChI=1S/C12H16Br2N2O2S/c1-8-7-16(5-4-11(8)15)19(17,18)12-3-2-9(13)6-10(12)14/h2-3,6,8,11H,4-5,7,15H2,1H3
InChIKeyYGLORAFLVBEOMD-UHFFFAOYSA-N
MW412.15 g/mol
LogP2.57
Rot. Bonds2

About 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine

1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine (PubChem CID 79868686) has the molecular formula C12H16Br2N2O2S and a molecular weight of 412.15 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
PubChem CID79868686
Molecular FormulaC12H16Br2N2O2S
Molecular Weight412.15 g/mol
Exact Mass409.93
IUPAC Name1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2ccc(Br)cc2Br)CCC1N
InChIInChI=1S/C12H16Br2N2O2S/c1-8-7-16(5-4-11(8)15)19(17,18)12-3-2-9(13)6-10(12)14/h2-3,6,8,11H,4-5,7,15H2,1H3
InChIKeyYGLORAFLVBEOMD-UHFFFAOYSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.15
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79873730
1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300248
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
[1-(2,4-dibromophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971871
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
1-(2,4-dibromophenyl)sulfonylpiperidine-3-carboxylic acid
CID 60824521
4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine
CID 63605466
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873
5-bromo-2-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256810

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine (CID 79868686) is 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine is CC1CN(S(=O)(=O)c2ccc(Br)cc2Br)CCC1N.
What is the InChIKey of 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine?
The InChIKey is YGLORAFLVBEOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2S/c1-8-7-16(5-4-11(8)15)19(17,18)12-3-2-9(13)6-10(12)14/h2-3,6,8,11H,4-5,7,15H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine?
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine has a molecular weight of 412.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 79868686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).