(2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane

C10H20N2OS — CID 167284299

IUPAC(2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CC2(C1)CN(CC)C2
InChIInChI=1S/C10H20N2OS/c1-3-12-7-10(8-12)4-9(5-10)6-14(2,11)13/h9,11H,3-8H2,1-2H3
InChIKeyCHYYSMBLCWRZBZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.39
Rot. Bonds3

About (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane

(2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane (PubChem CID 167284299) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane
PubChem CID167284299
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CC2(C1)CN(CC)C2
InChIInChI=1S/C10H20N2OS/c1-3-12-7-10(8-12)4-9(5-10)6-14(2,11)13/h9,11H,3-8H2,1-2H3
InChIKeyCHYYSMBLCWRZBZ-UHFFFAOYSA-N
XLogP1.39
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane (CID 167284299) is (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)CC1CC2(C1)CN(CC)C2.
What is the InChIKey of (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane?
The InChIKey is CHYYSMBLCWRZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-12-7-10(8-12)4-9(5-10)6-14(2,11)13/h9,11H,3-8H2,1-2H3.
What are the key properties of (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane?
(2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane has a molecular weight of 216.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-azaspiro[3.3]heptan-6-yl)methyl-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 167284299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).