1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one

C8H13NOS — CID 66109126

IUPAC1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
SMILESCC1NC(=O)CC12CCSC2
InChIInChI=1S/C8H13NOS/c1-6-8(2-3-11-5-8)4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyRAWMCZGMDZMCCG-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.02
Rot. Bonds

About 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one

1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one (PubChem CID 66109126) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
PubChem CID66109126
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
SMILESCC1NC(=O)CC12CCSC2
InChIInChI=1S/C8H13NOS/c1-6-8(2-3-11-5-8)4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyRAWMCZGMDZMCCG-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one (CID 66109126) is 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one is CC1NC(=O)CC12CCSC2.
What is the InChIKey of 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one?
The InChIKey is RAWMCZGMDZMCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6-8(2-3-11-5-8)4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one?
1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one has a molecular weight of 171.26 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 66109126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).