3-(pyrrolidin-3-ylmethylsulfonyl)phenol

C11H15NO3S — CID 84702715

IUPAC3-(pyrrolidin-3-ylmethylsulfonyl)phenol
SMILESO=S(=O)(CC1CCNC1)c1cccc(O)c1
InChIInChI=1S/C11H15NO3S/c13-10-2-1-3-11(6-10)16(14,15)8-9-4-5-12-7-9/h1-3,6,9,12-13H,4-5,7-8H2
InChIKeyIGFRKFKPJLSCGF-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.78
Rot. Bonds3

About 3-(pyrrolidin-3-ylmethylsulfonyl)phenol

3-(pyrrolidin-3-ylmethylsulfonyl)phenol (PubChem CID 84702715) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethylsulfonyl)phenol.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethylsulfonyl)phenol
PubChem CID84702715
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-(pyrrolidin-3-ylmethylsulfonyl)phenol
SMILESO=S(=O)(CC1CCNC1)c1cccc(O)c1
InChIInChI=1S/C11H15NO3S/c13-10-2-1-3-11(6-10)16(14,15)8-9-4-5-12-7-9/h1-3,6,9,12-13H,4-5,7-8H2
InChIKeyIGFRKFKPJLSCGF-UHFFFAOYSA-N
XLogP0.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-4-ylsulfonylphenol
CID 84702713
3-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908768
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(2,4,6-trimethylphenyl)sulfonylmethyl]pyrrolidine
CID 117036538
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
3-pyrrolidin-3-ylphenol
CID 12937992
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-(2-fluoroethylsulfonyl)phenol
CID 84672154
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]-1H-benzimidazole
CID 97166022
4-[2-(3-bromophenyl)sulfonylethyl]piperidine
CID 57195394
3-(piperidin-4-ylmethylsulfinyl)phenol
CID 84701440

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethylsulfonyl)phenol?
The IUPAC name of 3-(pyrrolidin-3-ylmethylsulfonyl)phenol (CID 84702715) is 3-(pyrrolidin-3-ylmethylsulfonyl)phenol.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethylsulfonyl)phenol?
The canonical SMILES for 3-(pyrrolidin-3-ylmethylsulfonyl)phenol is O=S(=O)(CC1CCNC1)c1cccc(O)c1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethylsulfonyl)phenol?
The InChIKey is IGFRKFKPJLSCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-10-2-1-3-11(6-10)16(14,15)8-9-4-5-12-7-9/h1-3,6,9,12-13H,4-5,7-8H2.
What are the key properties of 3-(pyrrolidin-3-ylmethylsulfonyl)phenol?
3-(pyrrolidin-3-ylmethylsulfonyl)phenol has a molecular weight of 241.31 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethylsulfonyl)phenol is sourced from PubChem (CID 84702715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).