[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol

C13H20N2O3S — CID 43579020

IUPAC[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
SMILESNCc1ccccc1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C13H20N2O3S/c14-9-11-5-1-2-7-13(11)19(17,18)15-8-4-3-6-12(15)10-16/h1-2,5,7,12,16H,3-4,6,8-10,14H2
InChIKeyKFTRCWNWQUNWTC-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.68
Rot. Bonds4

About [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol

[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol (PubChem CID 43579020) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
PubChem CID43579020
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
SMILESNCc1ccccc1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C13H20N2O3S/c14-9-11-5-1-2-7-13(11)19(17,18)15-8-4-3-6-12(15)10-16/h1-2,5,7,12,16H,3-4,6,8-10,14H2
InChIKeyKFTRCWNWQUNWTC-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-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

[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
CID 104689604
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 61407406
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
CID 106996722
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078
[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol
CID 62151316
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411
[1-[(2-aminophenyl)methylsulfonyl]azepan-2-yl]methanol
CID 116633902
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
2-[2-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634492
[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988617

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol (CID 43579020) is [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol is NCc1ccccc1S(=O)(=O)N1CCCCC1CO.
What is the InChIKey of [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol?
The InChIKey is KFTRCWNWQUNWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-9-11-5-1-2-7-13(11)19(17,18)15-8-4-3-6-12(15)10-16/h1-2,5,7,12,16H,3-4,6,8-10,14H2.
What are the key properties of [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol?
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 43579020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).