1-(3-aminophenyl)sulfonylpyrrolidin-3-ol

C10H14N2O3S — CID 62917852

IUPAC1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cccc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C10H14N2O3S/c11-8-2-1-3-10(6-8)16(14,15)12-5-4-9(13)7-12/h1-3,6,9,13H,4-5,7,11H2
InChIKeyLJDNYIDWUVTAQM-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.02
Rot. Bonds2

About 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol

1-(3-aminophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62917852) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
PubChem CID62917852
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cccc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C10H14N2O3S/c11-8-2-1-3-10(6-8)16(14,15)12-5-4-9(13)7-12/h1-3,6,9,13H,4-5,7,11H2
InChIKeyLJDNYIDWUVTAQM-UHFFFAOYSA-N
XLogP0.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.02
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

(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 55132313
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
CID 62944000
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
3-(azetidin-1-ylsulfonyl)aniline
CID 130546539
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 94895309
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 61113905

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol (CID 62917852) is 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol is Nc1cccc(S(=O)(=O)N2CCC(O)C2)c1.
What is the InChIKey of 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is LJDNYIDWUVTAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-8-2-1-3-10(6-8)16(14,15)12-5-4-9(13)7-12/h1-3,6,9,13H,4-5,7,11H2.
What are the key properties of 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol?
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 242.30 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62917852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).