2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide

C15H25N3O2S — CID 99831057

IUPAC2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CC(C)(C)OC(C)(C)C1)c1nccs1
InChIInChI=1S/C15H25N3O2S/c1-6-11(12-16-7-8-21-12)17-13(19)18-9-14(2,3)20-15(4,5)10-18/h7-8,11H,6,9-10H2,1-5H3,(H,17,19)/t11-/m0/s1
InChIKeyJGVUHZCWXUYZKI-NSHDSACASA-N
MW311.45 g/mol
LogP3.19
Rot. Bonds3

About 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide

2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide (PubChem CID 99831057) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide
PubChem CID99831057
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CC(C)(C)OC(C)(C)C1)c1nccs1
InChIInChI=1S/C15H25N3O2S/c1-6-11(12-16-7-8-21-12)17-13(19)18-9-14(2,3)20-15(4,5)10-18/h7-8,11H,6,9-10H2,1-5H3,(H,17,19)/t11-/m0/s1
InChIKeyJGVUHZCWXUYZKI-NSHDSACASA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-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 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide (CID 99831057) is 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide is CC[C@H](NC(=O)N1CC(C)(C)OC(C)(C)C1)c1nccs1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide?
The InChIKey is JGVUHZCWXUYZKI-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-6-11(12-16-7-8-21-12)17-13(19)18-9-14(2,3)20-15(4,5)10-18/h7-8,11H,6,9-10H2,1-5H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide?
2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 99831057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).