N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C13H15FN2OS — CID 106297829

IUPACN-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESFc1ccc(NC2=NC3(CCOCC3)CS2)cc1
InChIInChI=1S/C13H15FN2OS/c14-10-1-3-11(4-2-10)15-12-16-13(9-18-12)5-7-17-8-6-13/h1-4H,5-9H2,(H,15,16)
InChIKeyQAXSRLVXBSGCGO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.89
Rot. Bonds1

About N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106297829) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106297829
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC NameN-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESFc1ccc(NC2=NC3(CCOCC3)CS2)cc1
InChIInChI=1S/C13H15FN2OS/c14-10-1-3-11(4-2-10)15-12-16-13(9-18-12)5-7-17-8-6-13/h1-4H,5-9H2,(H,15,16)
InChIKeyQAXSRLVXBSGCGO-UHFFFAOYSA-N
XLogP2.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106297829) is N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is Fc1ccc(NC2=NC3(CCOCC3)CS2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is QAXSRLVXBSGCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c14-10-1-3-11(4-2-10)15-12-16-13(9-18-12)5-7-17-8-6-13/h1-4H,5-9H2,(H,15,16).
What are the key properties of N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 266.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106297829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).