2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane

C11H20N2S — CID 123444058

IUPAC2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane
SMILESC=C=S(C)N1CCC2(CCNC2)CC1
InChIInChI=1S/C11H20N2S/c1-3-14(2)13-8-5-11(6-9-13)4-7-12-10-11/h12H,1,4-10H2,2H3
InChIKeyFXPDSDRFPGIDOB-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.46
Rot. Bonds1

About 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane

2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane (PubChem CID 123444058) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane
PubChem CID123444058
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane
SMILESC=C=S(C)N1CCC2(CCNC2)CC1
InChIInChI=1S/C11H20N2S/c1-3-14(2)13-8-5-11(6-9-13)4-7-12-10-11/h12H,1,4-10H2,2H3
InChIKeyFXPDSDRFPGIDOB-UHFFFAOYSA-N
XLogP1.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8-diazaspiro[4.5]decane;ethane
CID 143048064
8-ethyl-2,8-diazaspiro[4.5]decane
CID 46318290
N,N-dimethyl-2,7-diazaspiro[3.5]nonane-7-sulfinamide
CID 137433156
2-azaspiro[4.5]decane;ethene
CID 171834081
potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane
CID 164876170
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
8-butyl-2,8-diazaspiro[4.5]decane
CID 83699136
2-azaspiro[3.3]heptane;5-azaspiro[2.4]heptane
CID 170601553
8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 169490463
8-propan-2-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 115276469
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane?
The IUPAC name of 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane (CID 123444058) is 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane is C=C=S(C)N1CCC2(CCNC2)CC1.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane?
The InChIKey is FXPDSDRFPGIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-14(2)13-8-5-11(6-9-13)4-7-12-10-11/h12H,1,4-10H2,2H3.
What are the key properties of 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane?
2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane has a molecular weight of 212.36 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-8-yl-ethenylidene-methyl-λ4-sulfane is sourced from PubChem (CID 123444058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).