2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane

C9H18N2OS — CID 164657335

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane
SMILES[H]N=S(=O)(CCC)N1CC2CCC1C2
InChIInChI=1S/C9H18N2OS/c1-2-5-13(10,12)11-7-8-3-4-9(11)6-8/h8-10H,2-7H2,1H3
InChIKeyWQNIRNNUQOSTHN-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.84
Rot. Bonds3

About 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane

2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane (PubChem CID 164657335) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane
PubChem CID164657335
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane
SMILES[H]N=S(=O)(CCC)N1CC2CCC1C2
InChIInChI=1S/C9H18N2OS/c1-2-5-13(10,12)11-7-8-3-4-9(11)6-8/h8-10H,2-7H2,1H3
InChIKeyWQNIRNNUQOSTHN-UHFFFAOYSA-N
XLogP1.84
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane (CID 164657335) is 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane is [H]N=S(=O)(CCC)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane?
The InChIKey is WQNIRNNUQOSTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-5-13(10,12)11-7-8-3-4-9(11)6-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane?
2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane has a molecular weight of 202.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-imino-oxo-propyl-λ6-sulfane is sourced from PubChem (CID 164657335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).