1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C11H19N3O3S — CID 54906125

IUPAC1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNCC1CCCOC1)COc1cnsn1
InChIInChI=1S/C11H19N3O3S/c15-10(8-17-11-6-13-18-14-11)5-12-4-9-2-1-3-16-7-9/h6,9-10,12,15H,1-5,7-8H2
InChIKeyHYNJNERIYWUNTC-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.29
Rot. Bonds7

About 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 54906125) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID54906125
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNCC1CCCOC1)COc1cnsn1
InChIInChI=1S/C11H19N3O3S/c15-10(8-17-11-6-13-18-14-11)5-12-4-9-2-1-3-16-7-9/h6,9-10,12,15H,1-5,7-8H2
InChIKeyHYNJNERIYWUNTC-UHFFFAOYSA-N
XLogP0.29
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 54906125) is 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNCC1CCCOC1)COc1cnsn1.
What is the InChIKey of 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is HYNJNERIYWUNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c15-10(8-17-11-6-13-18-14-11)5-12-4-9-2-1-3-16-7-9/h6,9-10,12,15H,1-5,7-8H2.
What are the key properties of 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 273.36 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 54906125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).