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

C21H40N4O3S — CID 153317924

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

N-tert-butyl-2-methyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine (PubChem CID 153317924) has the molecular formula C21H40N4O3S and a molecular weight of 428.64 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-N-[(2S)-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: N-tert-butyl-2-methyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine
• PubChem CID: 153317924
• Molecular Formula: C21H40N4O3S
• Molecular Weight: 428.64 g/mol
• Exact Mass: 428.28
• IUPAC Name: N-tert-butyl-2-methyl-N-[(2S)-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)O[C@H](COc1nsnc1N1CCOCC1)CN(C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C21H40N4O3S/c1-19(2,3)25(20(4,5)6)14-16(28-21(7,8)9)15-27-18-17(22-29-23-18)24-10-12-26-13-11-24/h16H,10-15H2,1-9H3/t16-/m0/s1
• InChIKey: XDLMMSYQOOASPU-INIZCTEOSA-N
• XLogP: 3.84
• TPSA: 59.95 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.64
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-N-[(2S)-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 N-tert-butyl-2-methyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine (CID 153317924) is N-tert-butyl-2-methyl-N-[(2S)-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 N-tert-butyl-2-methyl-N-[(2S)-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 N-tert-butyl-2-methyl-N-[(2S)-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)O[C@H](COc1nsnc1N1CCOCC1)CN(C(C)(C)C)C(C)(C)C.

What is the InChIKey of N-tert-butyl-2-methyl-N-[(2S)-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 XDLMMSYQOOASPU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H40N4O3S/c1-19(2,3)25(20(4,5)6)14-16(28-21(7,8)9)15-27-18-17(22-29-23-18)24-10-12-26-13-11-24/h16H,10-15H2,1-9H3/t16-/m0/s1.

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

N-tert-butyl-2-methyl-N-[(2S)-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 428.64 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-methyl-N-[(2S)-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 153317924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).