(3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol

C7H11N3O2S — CID 130703539

IUPAC(3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1cnns1
InChIInChI=1S/C7H11N3O2S/c11-7-4-12-3-6(7)8-1-5-2-9-10-13-5/h2,6-8,11H,1,3-4H2/t6-,7-/m1/s1
InChIKeyREGWSDTWFOORPZ-RNFRBKRXSA-N
MW201.25 g/mol
LogP-0.61
Rot. Bonds3

About (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol

(3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol (PubChem CID 130703539) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol
PubChem CID130703539
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name(3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1cnns1
InChIInChI=1S/C7H11N3O2S/c11-7-4-12-3-6(7)8-1-5-2-9-10-13-5/h2,6-8,11H,1,3-4H2/t6-,7-/m1/s1
InChIKeyREGWSDTWFOORPZ-RNFRBKRXSA-N
XLogP-0.61
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol (CID 130703539) is (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol is O[C@@H]1COC[C@H]1NCc1cnns1.
What is the InChIKey of (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol?
The InChIKey is REGWSDTWFOORPZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H11N3O2S/c11-7-4-12-3-6(7)8-1-5-2-9-10-13-5/h2,6-8,11H,1,3-4H2/t6-,7-/m1/s1.
What are the key properties of (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol?
(3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol has a molecular weight of 201.25 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol is sourced from PubChem (CID 130703539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).