(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol

C15H22N4O3S — CID 100843702

IUPAC(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESO[C@@H](COCc1cccs1)CN1CCO[C@@H](Cn2cncn2)C1
InChIInChI=1S/C15H22N4O3S/c20-13(9-21-10-15-2-1-5-23-15)6-18-3-4-22-14(7-18)8-19-12-16-11-17-19/h1-2,5,11-14,20H,3-4,6-10H2/t13-,14-/m1/s1
InChIKeyJTLSVVKRFUAXNB-ZIAGYGMSSA-N
MW338.43 g/mol
LogP0.62
Rot. Bonds8

About (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol

(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (PubChem CID 100843702) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
PubChem CID100843702
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESO[C@@H](COCc1cccs1)CN1CCO[C@@H](Cn2cncn2)C1
InChIInChI=1S/C15H22N4O3S/c20-13(9-21-10-15-2-1-5-23-15)6-18-3-4-22-14(7-18)8-19-12-16-11-17-19/h1-2,5,11-14,20H,3-4,6-10H2/t13-,14-/m1/s1
InChIKeyJTLSVVKRFUAXNB-ZIAGYGMSSA-N
XLogP0.62
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95610445
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129426034
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426024
4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]morpholine-2-carbonitrile
CID 111105473
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95329378
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95610468
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843690
1-[benzyl(methyl)amino]-3-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56802826
(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98775062
(1S)-1-(4-fluorophenyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95329376
(2R)-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350905

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The IUPAC name of (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (CID 100843702) is (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is O[C@@H](COCc1cccs1)CN1CCO[C@@H](Cn2cncn2)C1.
What is the InChIKey of (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The InChIKey is JTLSVVKRFUAXNB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N4O3S/c20-13(9-21-10-15-2-1-5-23-15)6-18-3-4-22-14(7-18)8-19-12-16-11-17-19/h1-2,5,11-14,20H,3-4,6-10H2/t13-,14-/m1/s1.
What are the key properties of (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol has a molecular weight of 338.43 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 100843702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).