1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol

C14H22N2O3S — CID 107406571

IUPAC1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-10-7-13(15)12(4-2)14(8-10)20(18,19)16-6-5-11(17)9-16/h7-8,11,17H,3-6,9,15H2,1-2H3
InChIKeySWELQDCXFNTRBB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.15
Rot. Bonds4

About 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol

1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 107406571) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID107406571
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-10-7-13(15)12(4-2)14(8-10)20(18,19)16-6-5-11(17)9-16/h7-8,11,17H,3-6,9,15H2,1-2H3
InChIKeySWELQDCXFNTRBB-UHFFFAOYSA-N
XLogP1.15
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.15
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-2,5-diethylphenyl)sulfonylpiperidin-3-ol
CID 107407173
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
3-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-diethylaniline
CID 107407046
(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212055
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline
CID 107406883
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 62956549
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379
1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79896400

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol (CID 107406571) is 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol is CCc1cc(N)c(CC)c(S(=O)(=O)N2CCC(O)C2)c1.
What is the InChIKey of 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is SWELQDCXFNTRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-10-7-13(15)12(4-2)14(8-10)20(18,19)16-6-5-11(17)9-16/h7-8,11,17H,3-6,9,15H2,1-2H3.
What are the key properties of 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol?
1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 298.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 107406571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).