1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol

C11H16N2O5S — CID 106667237

IUPAC1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
SMILESCOc1cc(S(=O)(=O)N2CC(O)C(O)C2)ccc1N
InChIInChI=1S/C11H16N2O5S/c1-18-11-4-7(2-3-8(11)12)19(16,17)13-5-9(14)10(15)6-13/h2-4,9-10,14-15H,5-6,12H2,1H3
InChIKeyROYFERIPBULYGL-UHFFFAOYSA-N
MW288.32 g/mol
LogP-1.00
Rot. Bonds3

About 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol

1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 106667237) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID106667237
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
SMILESCOc1cc(S(=O)(=O)N2CC(O)C(O)C2)ccc1N
InChIInChI=1S/C11H16N2O5S/c1-18-11-4-7(2-3-8(11)12)19(16,17)13-5-9(14)10(15)6-13/h2-4,9-10,14-15H,5-6,12H2,1H3
InChIKeyROYFERIPBULYGL-UHFFFAOYSA-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

2-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 81438019
[1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623937
2-methoxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 81438557
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-methoxyaniline
CID 115558795
(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213240
[1-(3-amino-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623894
2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390440
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
CID 62937387
1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide
CID 81442189
2-amino-4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenol
CID 103530304
(3aS,6aR)-5-(3,4-dimethoxyphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665492

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol (CID 106667237) is 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol is COc1cc(S(=O)(=O)N2CC(O)C(O)C2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is ROYFERIPBULYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-18-11-4-7(2-3-8(11)12)19(16,17)13-5-9(14)10(15)6-13/h2-4,9-10,14-15H,5-6,12H2,1H3.
What are the key properties of 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol?
1-(4-amino-3-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 1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 106667237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).