4-(pyrrolidin-2-ylmethylsulfonyl)phenol

C11H15NO3S — CID 84702717

IUPAC4-(pyrrolidin-2-ylmethylsulfonyl)phenol
SMILESO=S(=O)(CC1CCCN1)c1ccc(O)cc1
InChIInChI=1S/C11H15NO3S/c13-10-3-5-11(6-4-10)16(14,15)8-9-2-1-7-12-9/h3-6,9,12-13H,1-2,7-8H2
InChIKeyBLSPULCWXXEMIX-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.92
Rot. Bonds3

About 4-(pyrrolidin-2-ylmethylsulfonyl)phenol

4-(pyrrolidin-2-ylmethylsulfonyl)phenol (PubChem CID 84702717) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(pyrrolidin-2-ylmethylsulfonyl)phenol.

Molecular Properties

Compound Name4-(pyrrolidin-2-ylmethylsulfonyl)phenol
PubChem CID84702717
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-(pyrrolidin-2-ylmethylsulfonyl)phenol
SMILESO=S(=O)(CC1CCCN1)c1ccc(O)cc1
InChIInChI=1S/C11H15NO3S/c13-10-3-5-11(6-4-10)16(14,15)8-9-2-1-7-12-9/h3-6,9,12-13H,1-2,7-8H2
InChIKeyBLSPULCWXXEMIX-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 42263000
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 86310736
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
2-[(4-fluorophenyl)sulfonylmethyl]azetidine
CID 115071066
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
CID 134086021
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
CID 112741662
2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
CID 97165961
3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
CID 97163642
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-2-ylmethylsulfonyl)phenol?
The IUPAC name of 4-(pyrrolidin-2-ylmethylsulfonyl)phenol (CID 84702717) is 4-(pyrrolidin-2-ylmethylsulfonyl)phenol.
What is the SMILES notation for 4-(pyrrolidin-2-ylmethylsulfonyl)phenol?
The canonical SMILES for 4-(pyrrolidin-2-ylmethylsulfonyl)phenol is O=S(=O)(CC1CCCN1)c1ccc(O)cc1.
What is the InChIKey of 4-(pyrrolidin-2-ylmethylsulfonyl)phenol?
The InChIKey is BLSPULCWXXEMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-10-3-5-11(6-4-10)16(14,15)8-9-2-1-7-12-9/h3-6,9,12-13H,1-2,7-8H2.
What are the key properties of 4-(pyrrolidin-2-ylmethylsulfonyl)phenol?
4-(pyrrolidin-2-ylmethylsulfonyl)phenol has a molecular weight of 241.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-2-ylmethylsulfonyl)phenol is sourced from PubChem (CID 84702717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).