1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol

C7H11N3O4S — CID 106670954

IUPAC1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol
SMILESO=S(=O)(c1cnc[nH]1)N1CC(O)C(O)C1
InChIInChI=1S/C7H11N3O4S/c11-5-2-10(3-6(5)12)15(13,14)7-1-8-4-9-7/h1,4-6,11-12H,2-3H2,(H,8,9)
InChIKeyOKERWYDXEXGLEL-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.86
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol

1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol (PubChem CID 106670954) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol
PubChem CID106670954
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol
SMILESO=S(=O)(c1cnc[nH]1)N1CC(O)C(O)C1
InChIInChI=1S/C7H11N3O4S/c11-5-2-10(3-6(5)12)15(13,14)7-1-8-4-9-7/h1,4-6,11-12H,2-3H2,(H,8,9)
InChIKeyOKERWYDXEXGLEL-UHFFFAOYSA-N
XLogP-1.86
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol (CID 106670954) is 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol is O=S(=O)(c1cnc[nH]1)N1CC(O)C(O)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol?
The InChIKey is OKERWYDXEXGLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c11-5-2-10(3-6(5)12)15(13,14)7-1-8-4-9-7/h1,4-6,11-12H,2-3H2,(H,8,9).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol?
1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol has a molecular weight of 233.25 g/mol, XLogP of -1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106670954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).