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

C19H34N2O3S — CID 93163251

IUPAC(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
SMILESCc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)s1
InChIInChI=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
InChIKeyXTEJYKFFELSOAH-QGZVFWFLSA-N
MW370.56 g/mol
LogP2.37
Rot. Bonds9

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 CID93163251
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC Name(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
SMILESCc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)s1
InChIInChI=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
InChIKeyXTEJYKFFELSOAH-QGZVFWFLSA-N
XLogP2.37
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).