(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol

C13H24N4O3S — CID 122538515

IUPAC(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
SMILESCC(C)(C)N[C@@H](O)CCOc1nsnc1N1CCOCC1
InChIInChI=1S/C13H24N4O3S/c1-13(2,3)14-10(18)4-7-20-12-11(15-21-16-12)17-5-8-19-9-6-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
InChIKeySETZDCIJQOOEIU-JTQLQIEISA-N
MW316.43 g/mol
LogP0.85
Rot. Bonds6

About (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol

(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol (PubChem CID 122538515) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
PubChem CID122538515
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
SMILESCC(C)(C)N[C@@H](O)CCOc1nsnc1N1CCOCC1
InChIInChI=1S/C13H24N4O3S/c1-13(2,3)14-10(18)4-7-20-12-11(15-21-16-12)17-5-8-19-9-6-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
InChIKeySETZDCIJQOOEIU-JTQLQIEISA-N
XLogP0.85
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol?
The IUPAC name of (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol (CID 122538515) is (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol.
What is the SMILES notation for (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol?
The canonical SMILES for (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol is CC(C)(C)N[C@@H](O)CCOc1nsnc1N1CCOCC1.
What is the InChIKey of (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol?
The InChIKey is SETZDCIJQOOEIU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-13(2,3)14-10(18)4-7-20-12-11(15-21-16-12)17-5-8-19-9-6-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol?
(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol has a molecular weight of 316.43 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol is sourced from PubChem (CID 122538515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).