[4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol

C15H23NO3S — CID 86283431

IUPAC[4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCS(=O)(=O)CCN1CCC(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C15H23NO3S/c1-20(18,19)9-8-16-7-6-15(11-16)10-13-2-4-14(12-17)5-3-13/h2-5,15,17H,6-12H2,1H3
InChIKeyYVWBBEHMGZABNY-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.09
Rot. Bonds6

About [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol

[4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 86283431) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID86283431
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCS(=O)(=O)CCN1CCC(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C15H23NO3S/c1-20(18,19)9-8-16-7-6-15(11-16)10-13-2-4-14(12-17)5-3-13/h2-5,15,17H,6-12H2,1H3
InChIKeyYVWBBEHMGZABNY-UHFFFAOYSA-N
XLogP1.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 97121773
1-(2-methylsulfonylethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]azetidine
CID 167819810
N-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 97142329
3-(2-bromoethyl)-1-(2-methylsulfonylethyl)pyrrolidine
CID 114800434
[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97143774
3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 166615472
methyl 5-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]pentanoate
CID 166613684
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid
CID 119136182
[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol
CID 72919703
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 134697917
[4-[[(3S)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122596

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol (CID 86283431) is [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol is CS(=O)(=O)CCN1CCC(Cc2ccc(CO)cc2)C1.
What is the InChIKey of [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is YVWBBEHMGZABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-20(18,19)9-8-16-7-6-15(11-16)10-13-2-4-14(12-17)5-3-13/h2-5,15,17H,6-12H2,1H3.
What are the key properties of [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol?
[4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 297.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 86283431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).