3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine

C11H13BrN2O2S — CID 90313011

IUPAC3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CN(S(=O)(=O)c3ccccc3Br)CC12
InChIInChI=1S/C11H13BrN2O2S/c12-9-3-1-2-4-10(9)17(15,16)14-5-7-8(6-14)11(7)13/h1-4,7-8,11H,5-6,13H2
InChIKeyRHUXXCDDFGAUMU-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.03
Rot. Bonds2

About 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine

3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 90313011) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID90313011
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CN(S(=O)(=O)c3ccccc3Br)CC12
InChIInChI=1S/C11H13BrN2O2S/c12-9-3-1-2-4-10(9)17(15,16)14-5-7-8(6-14)11(7)13/h1-4,7-8,11H,5-6,13H2
InChIKeyRHUXXCDDFGAUMU-UHFFFAOYSA-N
XLogP1.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 90313011) is 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine is NC1C2CN(S(=O)(=O)c3ccccc3Br)CC12.
What is the InChIKey of 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is RHUXXCDDFGAUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c12-9-3-1-2-4-10(9)17(15,16)14-5-7-8(6-14)11(7)13/h1-4,7-8,11H,5-6,13H2.
What are the key properties of 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine?
3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 317.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 90313011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).