1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C14H19N3OS — CID 79514492

IUPAC1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOc1cccc(N2C(N)=NCC23CCCSC3)c1
InChIInChI=1S/C14H19N3OS/c1-18-12-5-2-4-11(8-12)17-13(15)16-9-14(17)6-3-7-19-10-14/h2,4-5,8H,3,6-7,9-10H2,1H3,(H2,15,16)
InChIKeyAOWMTRHGDUCFFT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.10
Rot. Bonds2

About 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79514492) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79514492
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOc1cccc(N2C(N)=NCC23CCCSC3)c1
InChIInChI=1S/C14H19N3OS/c1-18-12-5-2-4-11(8-12)17-13(15)16-9-14(17)6-3-7-19-10-14/h2,4-5,8H,3,6-7,9-10H2,1H3,(H2,15,16)
InChIKeyAOWMTRHGDUCFFT-UHFFFAOYSA-N
XLogP2.10
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79514492) is 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is COc1cccc(N2C(N)=NCC23CCCSC3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is AOWMTRHGDUCFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-18-12-5-2-4-11(8-12)17-13(15)16-9-14(17)6-3-7-19-10-14/h2,4-5,8H,3,6-7,9-10H2,1H3,(H2,15,16).
What are the key properties of 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79514492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).