3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

C13H24N2O2S — CID 53383075

IUPAC3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)CN1C(=O)CSCC1(C)C(=O)NC(C)C
InChIInChI=1S/C13H24N2O2S/c1-9(2)6-15-11(16)7-18-8-13(15,5)12(17)14-10(3)4/h9-10H,6-8H2,1-5H3,(H,14,17)
InChIKeyIIPHPMQGHWESHI-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.50
Rot. Bonds4

About 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (PubChem CID 53383075) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
PubChem CID53383075
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)CN1C(=O)CSCC1(C)C(=O)NC(C)C
InChIInChI=1S/C13H24N2O2S/c1-9(2)6-15-11(16)7-18-8-13(15,5)12(17)14-10(3)4/h9-10H,6-8H2,1-5H3,(H,14,17)
InChIKeyIIPHPMQGHWESHI-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(2-methylpropyl)-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 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The IUPAC name of 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (CID 53383075) is 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The canonical SMILES for 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is CC(C)CN1C(=O)CSCC1(C)C(=O)NC(C)C.
What is the InChIKey of 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The InChIKey is IIPHPMQGHWESHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-9(2)6-15-11(16)7-18-8-13(15,5)12(17)14-10(3)4/h9-10H,6-8H2,1-5H3,(H,14,17).
What are the key properties of 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 53383075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).