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

C14H17FN2O2S — CID 106298265

IUPACN-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCOc1cc(F)ccc1NC1=NC2(CCOCC2)CS1
InChIInChI=1S/C14H17FN2O2S/c1-18-12-8-10(15)2-3-11(12)16-13-17-14(9-20-13)4-6-19-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,16,17)
InChIKeyGPDREGAQXKCREU-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.90
Rot. Bonds2

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

N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106298265) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106298265
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCOc1cc(F)ccc1NC1=NC2(CCOCC2)CS1
InChIInChI=1S/C14H17FN2O2S/c1-18-12-8-10(15)2-3-11(12)16-13-17-14(9-20-13)4-6-19-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,16,17)
InChIKeyGPDREGAQXKCREU-UHFFFAOYSA-N
XLogP2.90
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106298265) is N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is COc1cc(F)ccc1NC1=NC2(CCOCC2)CS1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is GPDREGAQXKCREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-18-12-8-10(15)2-3-11(12)16-13-17-14(9-20-13)4-6-19-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,16,17).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 296.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106298265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).