1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine

C14H23NO2S — CID 43392150

IUPAC1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NC2CC3CC2C2CCCC32)C1
InChIInChI=1S/C14H23NO2S/c16-18(17)5-4-10(8-18)15-14-7-9-6-13(14)12-3-1-2-11(9)12/h9-15H,1-8H2
InChIKeyPGABWWRUDAIPGQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.59
Rot. Bonds2

About 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine

1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine (PubChem CID 43392150) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine
PubChem CID43392150
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NC2CC3CC2C2CCCC32)C1
InChIInChI=1S/C14H23NO2S/c16-18(17)5-4-10(8-18)15-14-7-9-6-13(14)12-3-1-2-11(9)12/h9-15H,1-8H2
InChIKeyPGABWWRUDAIPGQ-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine (CID 43392150) is 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine is O=S1(=O)CCC(NC2CC3CC2C2CCCC32)C1.
What is the InChIKey of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine?
The InChIKey is PGABWWRUDAIPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c16-18(17)5-4-10(8-18)15-14-7-9-6-13(14)12-3-1-2-11(9)12/h9-15H,1-8H2.
What are the key properties of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine?
1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine has a molecular weight of 269.41 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine is sourced from PubChem (CID 43392150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).