(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol

C12H18N2O3S — CID 107212087

IUPAC(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCc1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1N
InChIInChI=1S/C12H18N2O3S/c1-2-9-3-4-11(7-12(9)13)18(16,17)14-6-5-10(15)8-14/h3-4,7,10,15H,2,5-6,8,13H2,1H3/t10-/m0/s1
InChIKeyOOLFKKJNOGITPE-JTQLQIEISA-N
MW270.35 g/mol
LogP0.59
Rot. Bonds3

About (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol

(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 107212087) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID107212087
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCc1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1N
InChIInChI=1S/C12H18N2O3S/c1-2-9-3-4-11(7-12(9)13)18(16,17)14-6-5-10(15)8-14/h3-4,7,10,15H,2,5-6,8,13H2,1H3/t10-/m0/s1
InChIKeyOOLFKKJNOGITPE-JTQLQIEISA-N
XLogP0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.59
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

2-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215121
[1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623881
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
CID 43257281
8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763074
1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
CID 63288683
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol (CID 107212087) is (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol is CCc1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1N.
What is the InChIKey of (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is OOLFKKJNOGITPE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-9-3-4-11(7-12(9)13)18(16,17)14-6-5-10(15)8-14/h3-4,7,10,15H,2,5-6,8,13H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol?
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 270.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 107212087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).