4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

C15H24N4O2S — CID 53383076

IUPAC4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C15H24N4O2S/c1-12(2)17-14(21)15(3)10-22-9-13(20)19(15)7-4-6-18-8-5-16-11-18/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,17,21)
InChIKeyQGFLMDFGWWFVNC-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.13
Rot. Bonds6

About 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (PubChem CID 53383076) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
PubChem CID53383076
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C15H24N4O2S/c1-12(2)17-14(21)15(3)10-22-9-13(20)19(15)7-4-6-18-8-5-16-11-18/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,17,21)
InChIKeyQGFLMDFGWWFVNC-UHFFFAOYSA-N
XLogP1.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-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 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The IUPAC name of 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (CID 53383076) is 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The canonical SMILES for 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is CC(C)NC(=O)C1(C)CSCC(=O)N1CCCn1ccnc1.
What is the InChIKey of 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The InChIKey is QGFLMDFGWWFVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12(2)17-14(21)15(3)10-22-9-13(20)19(15)7-4-6-18-8-5-16-11-18/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,17,21).
What are the key properties of 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 53383076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).