(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol

C19H34N2O3S — CID 93163251

About (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol (PubChem CID 93163251) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
• PubChem CID: 93163251
• Molecular Formula: C19H34N2O3S
• Molecular Weight: 370.56 g/mol
• Exact Mass: 370.23
• IUPAC Name: (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
• SMILES: Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)s1
• InChI: InChI=1S/C19H34N2O3S/c1-16-5-6-18(25-16)14-21(8-7-20-9-11-23-12-10-20)13-17(22)15-24-19(2,3)4/h5-6,17,22H,7-15H2,1-4H3/t17-/m1/s1
• InChIKey: XTEJYKFFELSOAH-QGZVFWFLSA-N
• XLogP: 2.37
• TPSA: 45.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.56
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol?

The IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol (CID 93163251) is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol.

What is the SMILES notation for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol?

The canonical SMILES for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol is Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)s1.

What is the InChIKey of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol?

The InChIKey is XTEJYKFFELSOAH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-16-5-6-18(25-16)14-21(8-7-20-9-11-23-12-10-20)13-17(22)15-24-19(2,3)4/h5-6,17,22H,7-15H2,1-4H3/t17-/m1/s1.

What are the key properties of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol?

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol has a molecular weight of 370.56 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 93163251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).