(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol

C9H19NO4S — CID 103738839

IUPAC(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
SMILESCC(C)S(=O)(=O)CCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C9H19NO4S/c1-7(2)15(13,14)4-3-10-5-8(11)9(12)6-10/h7-9,11-12H,3-6H2,1-2H3/t8-,9+
InChIKeyYPEOIZZQEAYAFZ-DTORHVGOSA-N
MW237.32 g/mol
LogP-1.15
Rot. Bonds4

About (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol

(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol (PubChem CID 103738839) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
PubChem CID103738839
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
SMILESCC(C)S(=O)(=O)CCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C9H19NO4S/c1-7(2)15(13,14)4-3-10-5-8(11)9(12)6-10/h7-9,11-12H,3-6H2,1-2H3/t8-,9+
InChIKeyYPEOIZZQEAYAFZ-DTORHVGOSA-N
XLogP-1.15
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydroxypropyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium
CID 53730418
2,3-Dihydroxypropyl-dimethyl-(3-sulfopropyl)azanium
CID 53940779
3-[2,3-Dihydroxypropyl(dimethyl)azaniumyl]propane-1-sulfonate
CID 60042721
2,3-Dihydroxypropyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium hydroxide
CID 88434197
1-Propan-2-ylsulfonylpyrrolidine-3,4-diol
CID 106672509
(3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol
CID 140507740
1-[2-Methyl-2-(1-methylcyclopropyl)sulfonylpropyl]pyrrolidin-3-ol
CID 156218980
1,2-Dihydroxy-3-[2-hydroxyethyl(propyl)amino]propane-1-sulfonate
CID 169065709
1,2-Dihydroxy-3-[2-hydroxyethyl(propyl)amino]propane-1-sulfonic acid
CID 169065710
2,3-Dihydroxy-3-[2-hydroxyethyl(propyl)amino]propane-1-sulfonate
CID 169065732
4-[Butan-2-yl(butyl)amino]-1,1-dioxothiolan-3-ol
CID 54941285
4-[2-Methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol
CID 54990385

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol (CID 103738839) is (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol is CC(C)S(=O)(=O)CCN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol?
The InChIKey is YPEOIZZQEAYAFZ-DTORHVGOSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-7(2)15(13,14)4-3-10-5-8(11)9(12)6-10/h7-9,11-12H,3-6H2,1-2H3/t8-,9+.
What are the key properties of (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol?
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol has a molecular weight of 237.32 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 103738839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).