4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

C10H17N3OS — CID 79967088

IUPAC4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCCSC2C
InChIInChI=1S/C10H17N3OS/c1-3-13-9(14)12-8(11)10(13)5-4-6-15-7(10)2/h7H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyWRBOPLDSEQACNT-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.45
Rot. Bonds1

About 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79967088) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79967088
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCCSC2C
InChIInChI=1S/C10H17N3OS/c1-3-13-9(14)12-8(11)10(13)5-4-6-15-7(10)2/h7H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyWRBOPLDSEQACNT-UHFFFAOYSA-N
XLogP1.45
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79967088) is 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CCN1C(=O)N=C(N)C12CCCSC2C.
What is the InChIKey of 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is WRBOPLDSEQACNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-13-9(14)12-8(11)10(13)5-4-6-15-7(10)2/h7H,3-6H2,1-2H3,(H2,11,12,14).
What are the key properties of 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 227.33 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79967088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).