9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one

C12H20N2O2S — CID 98896688

IUPAC9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCSCC(=O)N1CCC2(CCCNC2=O)CC1
InChIInChI=1S/C12H20N2O2S/c1-17-9-10(15)14-7-4-12(5-8-14)3-2-6-13-11(12)16/h2-9H2,1H3,(H,13,16)
InChIKeyGYMKUXOEWKZQGH-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.87
Rot. Bonds2

About 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one

9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 98896688) 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-1-one.

Molecular Properties

Compound Name9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID98896688
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCSCC(=O)N1CCC2(CCCNC2=O)CC1
InChIInChI=1S/C12H20N2O2S/c1-17-9-10(15)14-7-4-12(5-8-14)3-2-6-13-11(12)16/h2-9H2,1H3,(H,13,16)
InChIKeyGYMKUXOEWKZQGH-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

(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895363
(5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97150140
2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922471
2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937627
2-methylpropane;9-[2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 172611589
(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97125831
1-(azetidin-1-yl)-2-methylsulfanylethanone
CID 128928827
1-(aziridin-1-yl)-2-methylsulfanylethanone
CID 130677613
9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98895826
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896666
(5S)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896990

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 98896688) is 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one is CSCC(=O)N1CCC2(CCCNC2=O)CC1.
What is the InChIKey of 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is GYMKUXOEWKZQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-17-9-10(15)14-7-4-12(5-8-14)3-2-6-13-11(12)16/h2-9H2,1H3,(H,13,16).
What are the key properties of 9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one?
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-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-1-one is sourced from PubChem (CID 98896688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).