1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol

C11H16N2O3S — CID 62918017

IUPAC1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)C2)cc1N
InChIInChI=1S/C11H16N2O3S/c1-8-2-3-10(6-11(8)12)17(15,16)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7,12H2,1H3
InChIKeyMYHABDXWZHLFGY-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.33
Rot. Bonds2

About 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol

1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62918017) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID62918017
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)C2)cc1N
InChIInChI=1S/C11H16N2O3S/c1-8-2-3-10(6-11(8)12)17(15,16)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7,12H2,1H3
InChIKeyMYHABDXWZHLFGY-UHFFFAOYSA-N
XLogP0.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol
CID 29052125
2-[1-(3-amino-4-methylphenyl)sulfonylpiperidin-4-yl]oxyethanol
CID 82012319
(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212018

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol (CID 62918017) is 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1ccc(S(=O)(=O)N2CCC(O)C2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is MYHABDXWZHLFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-2-3-10(6-11(8)12)17(15,16)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7,12H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol?
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 256.33 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62918017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).