(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol

C11H16N2O5S — CID 107213240

IUPAC(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
SMILESCOc1ccc(N)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H16N2O5S/c1-18-10-3-2-7(12)4-11(10)19(16,17)13-5-8(14)9(15)6-13/h2-4,8-9,14-15H,5-6,12H2,1H3/t8-,9+
InChIKeyOLCFYPOFOHVMAS-DTORHVGOSA-N
MW288.32 g/mol
LogP-1.00
Rot. Bonds3

About (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol

(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 107213240) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID107213240
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
SMILESCOc1ccc(N)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H16N2O5S/c1-18-10-3-2-7(12)4-11(10)19(16,17)13-5-8(14)9(15)6-13/h2-4,8-9,14-15H,5-6,12H2,1H3/t8-,9+
InChIKeyOLCFYPOFOHVMAS-DTORHVGOSA-N
XLogP-1.00
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
3-(4-cyclopropylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 61140630
methyl 5-amino-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonylbenzoate
CID 107213225
(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride
CID 154911275
1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106667237
1-(5-amino-2-methoxyphenyl)sulfonyl-1,4-diazepan-5-one
CID 62056952
3-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-4-methoxyaniline
CID 156859799
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzenesulfonamide
CID 43108428
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-4-methoxyaniline
CID 64575566
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluoroaniline
CID 103530315
4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol (CID 107213240) is (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol is COc1ccc(N)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is OLCFYPOFOHVMAS-DTORHVGOSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-18-10-3-2-7(12)4-11(10)19(16,17)13-5-8(14)9(15)6-13/h2-4,8-9,14-15H,5-6,12H2,1H3/t8-,9+.
What are the key properties of (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol?
(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 288.32 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 107213240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).