6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane

C11H12BrNO3S — CID 90313811

IUPAC6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane
SMILESO=S(=O)(c1ccccc1Br)N1CC2(COC2)C1
InChIInChI=1S/C11H12BrNO3S/c12-9-3-1-2-4-10(9)17(14,15)13-5-11(6-13)7-16-8-11/h1-4H,5-8H2
InChIKeyIPAAQBMKJVQSRH-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.47
Rot. Bonds2

About 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane

6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 90313811) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID90313811
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane
SMILESO=S(=O)(c1ccccc1Br)N1CC2(COC2)C1
InChIInChI=1S/C11H12BrNO3S/c12-9-3-1-2-4-10(9)17(14,15)13-5-11(6-13)7-16-8-11/h1-4H,5-8H2
InChIKeyIPAAQBMKJVQSRH-UHFFFAOYSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane (CID 90313811) is 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane is O=S(=O)(c1ccccc1Br)N1CC2(COC2)C1.
What is the InChIKey of 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is IPAAQBMKJVQSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-9-3-1-2-4-10(9)17(14,15)13-5-11(6-13)7-16-8-11/h1-4H,5-8H2.
What are the key properties of 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane?
6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 318.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 90313811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).