(3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol

C8H13N3O2S — CID 131015087

IUPAC(3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol
SMILESCO[C@@H]1CN(Cc2cnsn2)C[C@H]1O
InChIInChI=1S/C8H13N3O2S/c1-13-8-5-11(4-7(8)12)3-6-2-9-14-10-6/h2,7-8,12H,3-5H2,1H3/t7-,8-/m1/s1
InChIKeyAGSJQYKEWJJAIL-HTQZYQBOSA-N
MW215.28 g/mol
LogP-0.27
Rot. Bonds3

About (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol

(3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 131015087) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol
PubChem CID131015087
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name(3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol
SMILESCO[C@@H]1CN(Cc2cnsn2)C[C@H]1O
InChIInChI=1S/C8H13N3O2S/c1-13-8-5-11(4-7(8)12)3-6-2-9-14-10-6/h2,7-8,12H,3-5H2,1H3/t7-,8-/m1/s1
InChIKeyAGSJQYKEWJJAIL-HTQZYQBOSA-N
XLogP-0.27
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol (CID 131015087) is (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol is CO[C@@H]1CN(Cc2cnsn2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is AGSJQYKEWJJAIL-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-13-8-5-11(4-7(8)12)3-6-2-9-14-10-6/h2,7-8,12H,3-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 215.28 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 131015087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).