9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one

C12H20N2O2S — CID 98896666

IUPAC9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCSCC(=O)N1CCC2(CCC(=O)NC2)CC1
InChIInChI=1S/C12H20N2O2S/c1-17-8-11(16)14-6-4-12(5-7-14)3-2-10(15)13-9-12/h2-9H2,1H3,(H,13,15)
InChIKeyGIAQFPCMGSAMOW-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.87
Rot. Bonds2

About 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 98896666) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID98896666
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCSCC(=O)N1CCC2(CCC(=O)NC2)CC1
InChIInChI=1S/C12H20N2O2S/c1-17-8-11(16)14-6-4-12(5-7-14)3-2-10(15)13-9-12/h2-9H2,1H3,(H,13,15)
InChIKeyGIAQFPCMGSAMOW-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2-methylsulfanylethanone
CID 130677613
9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680253
(6R)-1-methyl-4-(2-methylsulfanylacetyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152352
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896688
8-[2-(2-methylphenyl)sulfanylacetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50980812
10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one
CID 146625811
2-azaspiro[5.7]tridecan-3-one
CID 102737265
1-(azetidin-1-yl)-2-methylsulfanylethanone
CID 128928827
9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98896652
9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 121499610
2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 50983601
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 98896666) is 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one is CSCC(=O)N1CCC2(CCC(=O)NC2)CC1.
What is the InChIKey of 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GIAQFPCMGSAMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-17-8-11(16)14-6-4-12(5-7-14)3-2-10(15)13-9-12/h2-9H2,1H3,(H,13,15).
What are the key properties of 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 256.37 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 98896666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).