(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol

C10H17N3O4S — CID 79409931

IUPAC(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol
SMILESCCn1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)nc1C
InChIInChI=1S/C10H17N3O4S/c1-3-12-6-10(11-7(12)2)18(16,17)13-4-8(14)9(15)5-13/h6,8-9,14-15H,3-5H2,1-2H3/t8-,9+
InChIKeyLHZJORPQUHKYLE-DTORHVGOSA-N
MW275.33 g/mol
LogP-1.06
Rot. Bonds3

About (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol

(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol (PubChem CID 79409931) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol
PubChem CID79409931
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol
SMILESCCn1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)nc1C
InChIInChI=1S/C10H17N3O4S/c1-3-12-6-10(11-7(12)2)18(16,17)13-4-8(14)9(15)5-13/h6,8-9,14-15H,3-5H2,1-2H3/t8-,9+
InChIKeyLHZJORPQUHKYLE-DTORHVGOSA-N
XLogP-1.06
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol (CID 79409931) is (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol is CCn1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)nc1C.
What is the InChIKey of (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is LHZJORPQUHKYLE-DTORHVGOSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-3-12-6-10(11-7(12)2)18(16,17)13-4-8(14)9(15)5-13/h6,8-9,14-15H,3-5H2,1-2H3/t8-,9+.
What are the key properties of (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol?
(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 275.33 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 79409931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).