4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one

C9H16N2OS — CID 131106324

IUPAC4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one
SMILESCCN1C(=O)C(C)NC12CCSC2
InChIInChI=1S/C9H16N2OS/c1-3-11-8(12)7(2)10-9(11)4-5-13-6-9/h7,10H,3-6H2,1-2H3
InChIKeyXUPFPWMYVMGGRT-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.66
Rot. Bonds1

About 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one

4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one (PubChem CID 131106324) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one
PubChem CID131106324
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one
SMILESCCN1C(=O)C(C)NC12CCSC2
InChIInChI=1S/C9H16N2OS/c1-3-11-8(12)7(2)10-9(11)4-5-13-6-9/h7,10H,3-6H2,1-2H3
InChIKeyXUPFPWMYVMGGRT-UHFFFAOYSA-N
XLogP0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-triethyl-5-methylimidazolidin-4-one
CID 130606410
3-ethyl-2,5-dimethyl-2-propylimidazolidin-4-one
CID 126989870
2,2,5-trimethyl-3-propylimidazolidin-4-one
CID 126995577
(2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one
CID 59884029
4-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethylsulfonyl-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823970
4-benzyl-8-[(3-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42843935
5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
CID 79955836
1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
CID 66109126
1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 64873314
1-(cyclopentylmethyl)-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 64873323
1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one
CID 83700068
ethane;1-ethyl-3,5-dimethylpyrrolidin-2-one
CID 178164464

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one (CID 131106324) is 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one is CCN1C(=O)C(C)NC12CCSC2.
What is the InChIKey of 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one?
The InChIKey is XUPFPWMYVMGGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-11-8(12)7(2)10-9(11)4-5-13-6-9/h7,10H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one?
4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one has a molecular weight of 200.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-7-thia-1,4-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131106324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).