2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine

C11H19NO2S — CID 65019891

IUPAC2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(C2CCS(=O)(=O)C2)CC2CCC1C2
InChIInChI=1S/C11H19NO2S/c12-11(6-8-1-2-9(11)5-8)10-3-4-15(13,14)7-10/h8-10H,1-7,12H2
InChIKeyWWTMRLUQCZTKDB-UHFFFAOYSA-N
MW229.34 g/mol
LogP0.94
Rot. Bonds1

About 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine

2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 65019891) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID65019891
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(C2CCS(=O)(=O)C2)CC2CCC1C2
InChIInChI=1S/C11H19NO2S/c12-11(6-8-1-2-9(11)5-8)10-3-4-15(13,14)7-10/h8-10H,1-7,12H2
InChIKeyWWTMRLUQCZTKDB-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine (CID 65019891) is 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine is NC1(C2CCS(=O)(=O)C2)CC2CCC1C2.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is WWTMRLUQCZTKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c12-11(6-8-1-2-9(11)5-8)10-3-4-15(13,14)7-10/h8-10H,1-7,12H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine?
2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 229.34 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65019891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).