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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Related Compounds

5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole
CID 90594378
(3S)-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 129369823
1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride
CID 71778822
(3aS,7aS)-2-[1-(1H-imidazol-5-ylsulfonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99990119
3-bromo-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80676122
2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine
CID 102938022
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol
CID 81103360
N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide
CID 113402571
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119963875
5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole
CID 90593680
3-(bromomethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80675450
2-(bromomethyl)-4-(1H-imidazol-5-ylsulfonyl)morpholine
CID 81211257

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).