1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol

C13H19NO4S — CID 62917470

IUPAC1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C13H19NO4S/c1-2-9-18-12-3-5-13(6-4-12)19(16,17)14-8-7-11(15)10-14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyNNWBXJCPVYVKKW-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.23
Rot. Bonds5

About 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol

1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62917470) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
PubChem CID62917470
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C13H19NO4S/c1-2-9-18-12-3-5-13(6-4-12)19(16,17)14-8-7-11(15)10-14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyNNWBXJCPVYVKKW-UHFFFAOYSA-N
XLogP1.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
CID 66291408
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
(3S,5S)-3,5-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidine
CID 2294126

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol (CID 62917470) is 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol is CCCOc1ccc(S(=O)(=O)N2CCC(O)C2)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is NNWBXJCPVYVKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-9-18-12-3-5-13(6-4-12)19(16,17)14-8-7-11(15)10-14/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol?
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 285.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62917470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).