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

C9H18N2OS — CID 166834505

IUPACimino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CC2(C1)CN(C)C2
InChIInChI=1S/C9H18N2OS/c1-11-6-9(7-11)3-8(4-9)5-13(2,10)12/h8,10H,3-7H2,1-2H3
InChIKeyRISBPYKBZJQKGQ-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.00
Rot. Bonds2

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

imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane (PubChem CID 166834505) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane
PubChem CID166834505
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Nameimino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CC2(C1)CN(C)C2
InChIInChI=1S/C9H18N2OS/c1-11-6-9(7-11)3-8(4-9)5-13(2,10)12/h8,10H,3-7H2,1-2H3
InChIKeyRISBPYKBZJQKGQ-UHFFFAOYSA-N
XLogP1.00
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane (CID 166834505) is imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane is [H]N=S(C)(=O)CC1CC2(C1)CN(C)C2.
What is the InChIKey of imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane?
The InChIKey is RISBPYKBZJQKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-11-6-9(7-11)3-8(4-9)5-13(2,10)12/h8,10H,3-7H2,1-2H3.
What are the key properties of imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane?
imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane has a molecular weight of 202.32 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)methyl]-oxo-λ6-sulfane is sourced from PubChem (CID 166834505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).