2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane

C12H14FNO2S — CID 67304750

IUPAC2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane
SMILESO=S(=O)(c1ccc(F)cc1)N1CC2(CCC2)C1
InChIInChI=1S/C12H14FNO2S/c13-10-2-4-11(5-3-10)17(15,16)14-8-12(9-14)6-1-7-12/h2-5H,1,6-9H2
InChIKeyNTJMSJAAAJOBPK-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.00
Rot. Bonds2

About 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane

2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane (PubChem CID 67304750) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane
PubChem CID67304750
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane
SMILESO=S(=O)(c1ccc(F)cc1)N1CC2(CCC2)C1
InChIInChI=1S/C12H14FNO2S/c13-10-2-4-11(5-3-10)17(15,16)14-8-12(9-14)6-1-7-12/h2-5H,1,6-9H2
InChIKeyNTJMSJAAAJOBPK-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane (CID 67304750) is 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane is O=S(=O)(c1ccc(F)cc1)N1CC2(CCC2)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane?
The InChIKey is NTJMSJAAAJOBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-10-2-4-11(5-3-10)17(15,16)14-8-12(9-14)6-1-7-12/h2-5H,1,6-9H2.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane?
2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane has a molecular weight of 255.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 67304750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).