8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane

C9H15NO3S — CID 118585099

IUPAC8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC=CS(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C9H15NO3S/c1-2-14(11)10-5-3-9(4-6-10)12-7-8-13-9/h2H,1,3-8H2
InChIKeyXKAOPHQWLNZDPV-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.63
Rot. Bonds2

About 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane

8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 118585099) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID118585099
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC=CS(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C9H15NO3S/c1-2-14(11)10-5-3-9(4-6-10)12-7-8-13-9/h2H,1,3-8H2
InChIKeyXKAOPHQWLNZDPV-UHFFFAOYSA-N
XLogP0.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 59303836
CID 59303836
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid
CID 20991583
8-[(3E)-4-methoxybuta-1,3-dien-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 167274139
8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 130067842
N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine
CID 20761881
8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 106438488
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 13018232
N-prop-2-enyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
CID 3766058
(Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 121408514
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methoxypropan-1-one
CID 115588850
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979

Frequently Asked Questions

What is the IUPAC name of 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 118585099) is 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane is C=CS(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is XKAOPHQWLNZDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-2-14(11)10-5-3-9(4-6-10)12-7-8-13-9/h2H,1,3-8H2.
What are the key properties of 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 217.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118585099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).