(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

C7H9N3O3S — CID 106671257

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CC(O)C(O)C1
InChIInChI=1S/C7H9N3O3S/c11-5-2-10(3-6(5)12)7(13)4-1-8-14-9-4/h1,5-6,11-12H,2-3H2
InChIKeyGWDDZFRBYLZRCG-UHFFFAOYSA-N
MW215.23 g/mol
LogP-1.28
Rot. Bonds1

About (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 106671257) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID106671257
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CC(O)C(O)C1
InChIInChI=1S/C7H9N3O3S/c11-5-2-10(3-6(5)12)7(13)4-1-8-14-9-4/h1,5-6,11-12H,2-3H2
InChIKeyGWDDZFRBYLZRCG-UHFFFAOYSA-N
XLogP-1.28
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 106671257) is (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is GWDDZFRBYLZRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c11-5-2-10(3-6(5)12)7(13)4-1-8-14-9-4/h1,5-6,11-12H,2-3H2.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 215.23 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 106671257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).