2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine

C17H32N4O3S — CID 126710401

About 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine

2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine (PubChem CID 126710401) has the molecular formula C17H32N4O3S and a molecular weight of 372.54 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine
• PubChem CID: 126710401
• Molecular Formula: C17H32N4O3S
• Molecular Weight: 372.54 g/mol
• Exact Mass: 372.22
• IUPAC Name: 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine
• SMILES: CC(C)(C)NC[C@H](COc1nsnc1N1CCOCC1)OC(C)(C)C
• InChI: InChI=1S/C17H32N4O3S/c1-16(2,3)18-11-13(24-17(4,5)6)12-23-15-14(19-25-20-15)21-7-9-22-10-8-21/h13,18H,7-12H2,1-6H3/t13-/m1/s1
• InChIKey: JIXRLSQPDYEBGI-CYBMUJFWSA-N
• XLogP: 2.33
• TPSA: 68.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.54
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine?

The IUPAC name of 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine (CID 126710401) is 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine.

What is the SMILES notation for 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine?

The canonical SMILES for 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine is CC(C)(C)NC[C@H](COc1nsnc1N1CCOCC1)OC(C)(C)C.

What is the InChIKey of 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine?

The InChIKey is JIXRLSQPDYEBGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H32N4O3S/c1-16(2,3)18-11-13(24-17(4,5)6)12-23-15-14(19-25-20-15)21-7-9-22-10-8-21/h13,18H,7-12H2,1-6H3/t13-/m1/s1.

What are the key properties of 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine?

2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine has a molecular weight of 372.54 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine is sourced from PubChem (CID 126710401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).