2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol

C13H20N2O3S — CID 43628772

IUPAC2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
SMILESCS(=O)(=O)N1CCC(NCc2ccccc2O)CC1
InChIInChI=1S/C13H20N2O3S/c1-19(17,18)15-8-6-12(7-9-15)14-10-11-4-2-3-5-13(11)16/h2-5,12,14,16H,6-10H2,1H3
InChIKeyFYDOLMJOBOCEHS-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.91
Rot. Bonds4

About 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol

2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 43628772) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
PubChem CID43628772
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
SMILESCS(=O)(=O)N1CCC(NCc2ccccc2O)CC1
InChIInChI=1S/C13H20N2O3S/c1-19(17,18)15-8-6-12(7-9-15)14-10-11-4-2-3-5-13(11)16/h2-5,12,14,16H,6-10H2,1H3
InChIKeyFYDOLMJOBOCEHS-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine
CID 138020894
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
N-[(2-bromo-4-fluorophenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 43628921
2-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]phenol
CID 115617583
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
CID 60908981
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
1-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 47030573
1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide
CID 110714984
2-[(thian-4-ylamino)methyl]phenol
CID 115603400

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol (CID 43628772) is 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol is CS(=O)(=O)N1CCC(NCc2ccccc2O)CC1.
What is the InChIKey of 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is FYDOLMJOBOCEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-19(17,18)15-8-6-12(7-9-15)14-10-11-4-2-3-5-13(11)16/h2-5,12,14,16H,6-10H2,1H3.
What are the key properties of 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol?
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 284.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 43628772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).