1-(2-bromophenyl)sulfonylpiperidin-2-amine

C11H15BrN2O2S — CID 43123733

IUPAC1-(2-bromophenyl)sulfonylpiperidin-2-amine
SMILESNC1CCCCN1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O2S/c12-9-5-1-2-6-10(9)17(15,16)14-8-4-3-7-11(14)13/h1-2,5-6,11H,3-4,7-8,13H2
InChIKeyKTUSSXXUOINBSA-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.91
Rot. Bonds2

About 1-(2-bromophenyl)sulfonylpiperidin-2-amine

1-(2-bromophenyl)sulfonylpiperidin-2-amine (PubChem CID 43123733) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonylpiperidin-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonylpiperidin-2-amine
PubChem CID43123733
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name1-(2-bromophenyl)sulfonylpiperidin-2-amine
SMILESNC1CCCCN1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O2S/c12-9-5-1-2-6-10(9)17(15,16)14-8-4-3-7-11(14)13/h1-2,5-6,11H,3-4,7-8,13H2
InChIKeyKTUSSXXUOINBSA-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonylpiperidin-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfonylpiperidin-2-amine (CID 43123733) is 1-(2-bromophenyl)sulfonylpiperidin-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfonylpiperidin-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfonylpiperidin-2-amine is NC1CCCCN1S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfonylpiperidin-2-amine?
The InChIKey is KTUSSXXUOINBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-9-5-1-2-6-10(9)17(15,16)14-8-4-3-7-11(14)13/h1-2,5-6,11H,3-4,7-8,13H2.
What are the key properties of 1-(2-bromophenyl)sulfonylpiperidin-2-amine?
1-(2-bromophenyl)sulfonylpiperidin-2-amine has a molecular weight of 319.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonylpiperidin-2-amine is sourced from PubChem (CID 43123733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).