N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine

C11H19NO2S — CID 61309139

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CC3CCC2C3)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)4-3-10(7-15)12-11-6-8-1-2-9(11)5-8/h8-12H,1-7H2
InChIKeyZTZPOXVQQZOACA-UHFFFAOYSA-N
MW229.34 g/mol
LogP0.95
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine

N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine (PubChem CID 61309139) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine
PubChem CID61309139
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CC3CCC2C3)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)4-3-10(7-15)12-11-6-8-1-2-9(11)5-8/h8-12H,1-7H2
InChIKeyZTZPOXVQQZOACA-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine (CID 61309139) is N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NC2CC3CCC2C3)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine?
The InChIKey is ZTZPOXVQQZOACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-15(14)4-3-10(7-15)12-11-6-8-1-2-9(11)5-8/h8-12H,1-7H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine?
N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine has a molecular weight of 229.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 61309139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).