2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide

C13H22N4O2S — CID 71859645

IUPAC2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide
SMILESCCC(NC(=O)N1CCSC(C)(C)C1)c1noc(C)n1
InChIInChI=1S/C13H22N4O2S/c1-5-10(11-14-9(2)19-16-11)15-12(18)17-6-7-20-13(3,4)8-17/h10H,5-8H2,1-4H3,(H,15,18)
InChIKeyUIUPPHKTQXHLIJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.37
Rot. Bonds3

About 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide

2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide (PubChem CID 71859645) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide
PubChem CID71859645
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide
SMILESCCC(NC(=O)N1CCSC(C)(C)C1)c1noc(C)n1
InChIInChI=1S/C13H22N4O2S/c1-5-10(11-14-9(2)19-16-11)15-12(18)17-6-7-20-13(3,4)8-17/h10H,5-8H2,1-4H3,(H,15,18)
InChIKeyUIUPPHKTQXHLIJ-UHFFFAOYSA-N
XLogP2.37
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-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 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide (CID 71859645) is 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide is CCC(NC(=O)N1CCSC(C)(C)C1)c1noc(C)n1.
What is the InChIKey of 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide?
The InChIKey is UIUPPHKTQXHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-5-10(11-14-9(2)19-16-11)15-12(18)17-6-7-20-13(3,4)8-17/h10H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide?
2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71859645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).