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

C11H20N2O3S — CID 59127680

IUPAC(1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one
SMILESN[C@]12CC1CCCCCCCS(=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)/t9?,11-/m1/s1
InChIKeyIWXUCRYQRMOLMO-HCCKASOXSA-N
MW260.36 g/mol
LogP0.50
Rot. Bonds

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

(1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one (PubChem CID 59127680) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one.

Molecular Properties

Compound Name(1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one
PubChem CID59127680
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one
SMILESN[C@]12CC1CCCCCCCS(=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)/t9?,11-/m1/s1
InChIKeyIWXUCRYQRMOLMO-HCCKASOXSA-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 (1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one?
The IUPAC name of (1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one (CID 59127680) is (1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one.
What is the SMILES notation for (1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one?
The canonical SMILES for (1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one is N[C@]12CC1CCCCCCCS(=O)(=O)NC2=O.
What is the InChIKey of (1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one?
The InChIKey is IWXUCRYQRMOLMO-HCCKASOXSA-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)/t9?,11-/m1/s1.
What are the key properties of (1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one?
(1R)-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 (1R)-1-amino-4,4-dioxo-4λ6-thia-3-azabicyclo[10.1.0]tridecan-2-one is sourced from PubChem (CID 59127680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).