8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C9H15N3OS — CID 70079644

IUPAC8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCSC1=NC2(CCN(C)CC2)C(=O)N1
InChIInChI=1S/C9H15N3OS/c1-12-5-3-9(4-6-12)7(13)10-8(11-9)14-2/h3-6H2,1-2H3,(H,10,11,13)
InChIKeyDCCBTJHJSAORLC-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.30
Rot. Bonds

About 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 70079644) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID70079644
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCSC1=NC2(CCN(C)CC2)C(=O)N1
InChIInChI=1S/C9H15N3OS/c1-12-5-3-9(4-6-12)7(13)10-8(11-9)14-2/h3-6H2,1-2H3,(H,10,11,13)
InChIKeyDCCBTJHJSAORLC-UHFFFAOYSA-N
XLogP0.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 70079644) is 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CSC1=NC2(CCN(C)CC2)C(=O)N1.
What is the InChIKey of 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is DCCBTJHJSAORLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-12-5-3-9(4-6-12)7(13)10-8(11-9)14-2/h3-6H2,1-2H3,(H,10,11,13).
What are the key properties of 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 213.31 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 70079644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).