1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one

C10H17NOS — CID 79950542

IUPAC1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
SMILESCCC1NC(=O)CC12CSC(C)C2
InChIInChI=1S/C10H17NOS/c1-3-8-10(5-9(12)11-8)4-7(2)13-6-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyYMZCBBQTNFYDPG-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.80
Rot. Bonds1

About 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one

1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one (PubChem CID 79950542) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
PubChem CID79950542
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
SMILESCCC1NC(=O)CC12CSC(C)C2
InChIInChI=1S/C10H17NOS/c1-3-8-10(5-9(12)11-8)4-7(2)13-6-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyYMZCBBQTNFYDPG-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-6-azaspiro[3.4]octan-7-one
CID 81251758
1,8-diethyl-2-azaspiro[4.4]nonan-3-one
CID 66106354
1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one
CID 106874742
1-ethyl-8-propyl-2-azaspiro[4.5]decan-3-one
CID 66106559
1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one
CID 66106130
6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione
CID 79956981
1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one
CID 66106138
2-(chloromethyl)-6-methyl-5-thiaspiro[2.4]heptane
CID 81358215
1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
CID 66109126
1-(2-methylpropyl)-8-thia-2-azaspiro[4.5]decan-3-one
CID 66109395
3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione
CID 79317229
1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one
CID 66108752

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one (CID 79950542) is 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one is CCC1NC(=O)CC12CSC(C)C2.
What is the InChIKey of 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one?
The InChIKey is YMZCBBQTNFYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-8-10(5-9(12)11-8)4-7(2)13-6-10/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one?
1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one has a molecular weight of 199.32 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 79950542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).