N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C14H16F2N2S — CID 62526066

IUPACN-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESFc1cccc(NC2=NC3(CCCCC3)CS2)c1F
InChIInChI=1S/C14H16F2N2S/c15-10-5-4-6-11(12(10)16)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyOOJVSDLAWPQBIF-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.18
Rot. Bonds1

About N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 62526066) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID62526066
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESFc1cccc(NC2=NC3(CCCCC3)CS2)c1F
InChIInChI=1S/C14H16F2N2S/c15-10-5-4-6-11(12(10)16)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyOOJVSDLAWPQBIF-UHFFFAOYSA-N
XLogP4.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2064062
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CID 2446698
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CID 2731145
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CID 2737977
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CID 24747414
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CID 3775826
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 62526066) is N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is Fc1cccc(NC2=NC3(CCCCC3)CS2)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is OOJVSDLAWPQBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c15-10-5-4-6-11(12(10)16)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18).
What are the key properties of N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 282.36 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 62526066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).