methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane

C9H18N2O2S — CID 123802060

IUPACmethyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane
SMILESC=S(C)(=O)N1CCOC12CCNCC2
InChIInChI=1S/C9H18N2O2S/c1-14(2,12)11-7-8-13-9(11)3-5-10-6-4-9/h10H,1,3-8H2,2H3
InChIKeyPWRFUAIVFSNSGR-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.34
Rot. Bonds1

About methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane

methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane (PubChem CID 123802060) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane
PubChem CID123802060
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Namemethyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane
SMILESC=S(C)(=O)N1CCOC12CCNCC2
InChIInChI=1S/C9H18N2O2S/c1-14(2,12)11-7-8-13-9(11)3-5-10-6-4-9/h10H,1,3-8H2,2H3
InChIKeyPWRFUAIVFSNSGR-UHFFFAOYSA-N
XLogP-0.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane?
The IUPAC name of methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane (CID 123802060) is methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane.
What is the SMILES notation for methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane?
The canonical SMILES for methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane is C=S(C)(=O)N1CCOC12CCNCC2.
What is the InChIKey of methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane?
The InChIKey is PWRFUAIVFSNSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-14(2,12)11-7-8-13-9(11)3-5-10-6-4-9/h10H,1,3-8H2,2H3.
What are the key properties of methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane?
methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane has a molecular weight of 218.32 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-oxo-λ6-sulfane is sourced from PubChem (CID 123802060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).