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

C15H25NO2S — CID 43679767

IUPAC3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine
SMILESCC1(NC2CC3CC2C2CCCC32)CCS(=O)(=O)C1
InChIInChI=1S/C15H25NO2S/c1-15(5-6-19(17,18)9-15)16-14-8-10-7-13(14)12-4-2-3-11(10)12/h10-14,16H,2-9H2,1H3
InChIKeyVSZRXCHZQUINHS-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.98
Rot. Bonds2

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

3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine (PubChem CID 43679767) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine
PubChem CID43679767
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine
SMILESCC1(NC2CC3CC2C2CCCC32)CCS(=O)(=O)C1
InChIInChI=1S/C15H25NO2S/c1-15(5-6-19(17,18)9-15)16-14-8-10-7-13(14)12-4-2-3-11(10)12/h10-14,16H,2-9H2,1H3
InChIKeyVSZRXCHZQUINHS-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine?
The IUPAC name of 3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine (CID 43679767) is 3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine is CC1(NC2CC3CC2C2CCCC32)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine?
The InChIKey is VSZRXCHZQUINHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-15(5-6-19(17,18)9-15)16-14-8-10-7-13(14)12-4-2-3-11(10)12/h10-14,16H,2-9H2,1H3.
What are the key properties of 3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine?
3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine has a molecular weight of 283.44 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thiolan-3-amine is sourced from PubChem (CID 43679767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).