2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one

C9H16N2OS — CID 171516524

IUPAC2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCSN1CCC2(CCN(C)C2=O)C1
InChIInChI=1S/C9H16N2OS/c1-10-5-3-9(8(10)12)4-6-11(7-9)13-2/h3-7H2,1-2H3
InChIKeyOOLLGFBOCWANQF-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.82
Rot. Bonds1

About 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one

2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 171516524) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID171516524
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCSN1CCC2(CCN(C)C2=O)C1
InChIInChI=1S/C9H16N2OS/c1-10-5-3-9(8(10)12)4-6-11(7-9)13-2/h3-7H2,1-2H3
InChIKeyOOLLGFBOCWANQF-UHFFFAOYSA-N
XLogP0.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-azaspiro[4.5]decane-1,8-dione
CID 90036749
2-ethyl-6-methyl-2,6-diazaspiro[3.4]octan-5-one
CID 145349631
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527
(5R)-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124537264
8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97370123
ethane;2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 166077351
6-methyl-6-azaspiro[3.6]decan-5-one
CID 12509314
1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one
CID 150766000
3,3-difluoro-1-methylsulfanylpyrrolidine
CID 123776215
2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride
CID 135392414
2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride
CID 68666401
2,8-dimethyl-2,8-diazaspiro[4.5]decan-3-one;2,7-dimethyl-2,7-diazaspiro[3.5]nonan-3-one
CID 160674259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one (CID 171516524) is 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one is CSN1CCC2(CCN(C)C2=O)C1.
What is the InChIKey of 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is OOLLGFBOCWANQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-10-5-3-9(8(10)12)4-6-11(7-9)13-2/h3-7H2,1-2H3.
What are the key properties of 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one?
2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 200.31 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 171516524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).