9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide

C9H17NO3S2 — CID 89336750

IUPAC9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide
SMILESCN1CCC2(CC1)S(=O)CCCS2(=O)=O
InChIInChI=1S/C9H17NO3S2/c1-10-5-3-9(4-6-10)14(11)7-2-8-15(9,12)13/h2-8H2,1H3
InChIKeyBLXKZAPZVBDONK-UHFFFAOYSA-N
MW251.37 g/mol
LogP-0.02
Rot. Bonds

About 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide

9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide (PubChem CID 89336750) has the molecular formula C9H17NO3S2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide.

Molecular Properties

Compound Name9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide
PubChem CID89336750
Molecular FormulaC9H17NO3S2
Molecular Weight251.37 g/mol
Exact Mass251.06
IUPAC Name9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide
SMILESCN1CCC2(CC1)S(=O)CCCS2(=O)=O
InChIInChI=1S/C9H17NO3S2/c1-10-5-3-9(4-6-10)14(11)7-2-8-15(9,12)13/h2-8H2,1H3
InChIKeyBLXKZAPZVBDONK-UHFFFAOYSA-N
XLogP-0.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide?
The IUPAC name of 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide (CID 89336750) is 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide.
What is the SMILES notation for 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide?
The canonical SMILES for 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide is CN1CCC2(CC1)S(=O)CCCS2(=O)=O.
What is the InChIKey of 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide?
The InChIKey is BLXKZAPZVBDONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S2/c1-10-5-3-9(4-6-10)14(11)7-2-8-15(9,12)13/h2-8H2,1H3.
What are the key properties of 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide?
9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide has a molecular weight of 251.37 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1λ4,5λ6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide is sourced from PubChem (CID 89336750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).