2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol

C14H23N3O3S — CID 78928416

IUPAC2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol
SMILESCCS(=O)(=O)N1CCC(NCc2nc(C)ccc2O)CC1
InChIInChI=1S/C14H23N3O3S/c1-3-21(19,20)17-8-6-12(7-9-17)15-10-13-14(18)5-4-11(2)16-13/h4-5,12,15,18H,3,6-10H2,1-2H3
InChIKeyQEHFYHFLQNTFKY-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.00
Rot. Bonds5

About 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol

2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 78928416) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID78928416
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol
SMILESCCS(=O)(=O)N1CCC(NCc2nc(C)ccc2O)CC1
InChIInChI=1S/C14H23N3O3S/c1-3-21(19,20)17-8-6-12(7-9-17)15-10-13-14(18)5-4-11(2)16-13/h4-5,12,15,18H,3,6-10H2,1-2H3
InChIKeyQEHFYHFLQNTFKY-UHFFFAOYSA-N
XLogP1.00
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol with MolForge

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Related Compounds

6-methyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-3-ol
CID 79025943
2-[(cyclobutylamino)methyl]-6-methylpyridin-3-ol
CID 78950424
2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol
CID 78928626
6-methyl-2-[[(3-methylcyclobutyl)amino]methyl]pyridin-3-ol
CID 115671574
6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol
CID 103701607
2-[(2-adamantylamino)methyl]-6-methylpyridin-3-ol
CID 78928439
1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
CID 62743069
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 28731283
1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine
CID 62346420
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78943319
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766
N-[(5-chloro-2-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 75431856

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol (CID 78928416) is 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol is CCS(=O)(=O)N1CCC(NCc2nc(C)ccc2O)CC1.
What is the InChIKey of 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is QEHFYHFLQNTFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-21(19,20)17-8-6-12(7-9-17)15-10-13-14(18)5-4-11(2)16-13/h4-5,12,15,18H,3,6-10H2,1-2H3.
What are the key properties of 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol?
2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 313.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 78928416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).