1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one

C11H20N2O3S — CID 66782543

IUPAC1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one
SMILESNC12CC1CCCCCCCS(=O)(=O)NC2=O
InChIInChI=1S/C11H20N2O3S/c12-11-8-9(11)6-4-2-1-3-5-7-17(15,16)13-10(11)14/h9H,1-8,12H2,(H,13,14)
InChIKeyIWXUCRYQRMOLMO-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.50
Rot. Bonds

About 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one

1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one (PubChem CID 66782543) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one.

Molecular Properties

Compound Name1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one
PubChem CID66782543
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one
SMILESNC12CC1CCCCCCCS(=O)(=O)NC2=O
InChIInChI=1S/C11H20N2O3S/c12-11-8-9(11)6-4-2-1-3-5-7-17(15,16)13-10(11)14/h9H,1-8,12H2,(H,13,14)
InChIKeyIWXUCRYQRMOLMO-UHFFFAOYSA-N
XLogP0.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one?
The IUPAC name of 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one (CID 66782543) is 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one.
What is the SMILES notation for 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one?
The canonical SMILES for 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one is NC12CC1CCCCCCCS(=O)(=O)NC2=O.
What is the InChIKey of 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one?
The InChIKey is IWXUCRYQRMOLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-11-8-9(11)6-4-2-1-3-5-7-17(15,16)13-10(11)14/h9H,1-8,12H2,(H,13,14).
What are the key properties of 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one?
1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one has a molecular weight of 260.36 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one is sourced from PubChem (CID 66782543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).