N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide

C15H23NO3S — CID 3665090

IUPACN-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23NO3S/c17-14(13-1-2-20(18,19)9-13)16-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,1-9H2,(H,16,17)
InChIKeyWEPAZGWIRVKGFZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.51
Rot. Bonds2

About N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide

N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 3665090) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID3665090
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23NO3S/c17-14(13-1-2-20(18,19)9-13)16-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,1-9H2,(H,16,17)
InChIKeyWEPAZGWIRVKGFZ-UHFFFAOYSA-N
XLogP1.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide (CID 3665090) is N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is WEPAZGWIRVKGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c17-14(13-1-2-20(18,19)9-13)16-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,1-9H2,(H,16,17).
What are the key properties of N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide?
N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 3665090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).