[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol

C14H22N2O3S — CID 61409691

IUPAC[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCNC(C)c1cccc(S(=O)(=O)N2CCCC2CO)c1
InChIInChI=1S/C14H22N2O3S/c1-11(15-2)12-5-3-7-14(9-12)20(18,19)16-8-4-6-13(16)10-17/h3,5,7,9,11,13,15,17H,4,6,8,10H2,1-2H3
InChIKeyKSYBQRGSDFESNS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.11
Rot. Bonds5

About [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol

[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol (PubChem CID 61409691) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
PubChem CID61409691
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCNC(C)c1cccc(S(=O)(=O)N2CCCC2CO)c1
InChIInChI=1S/C14H22N2O3S/c1-11(15-2)12-5-3-7-14(9-12)20(18,19)16-8-4-6-13(16)10-17/h3,5,7,9,11,13,15,17H,4,6,8,10H2,1-2H3
InChIKeyKSYBQRGSDFESNS-UHFFFAOYSA-N
XLogP1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43506697
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 79028773
1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 66260795
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 75400479
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
[1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 175606970
[(2S)-1-[3-[5-(methylaminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 130358192
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411

Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol (CID 61409691) is [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol is CNC(C)c1cccc(S(=O)(=O)N2CCCC2CO)c1.
What is the InChIKey of [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is KSYBQRGSDFESNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(15-2)12-5-3-7-14(9-12)20(18,19)16-8-4-6-13(16)10-17/h3,5,7,9,11,13,15,17H,4,6,8,10H2,1-2H3.
What are the key properties of [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol?
[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 61409691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).