[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol

C14H16N2O3S — CID 114599421

IUPAC[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCS(=O)(=O)c1cccnc1NCc1cccc(CO)c1
InChIInChI=1S/C14H16N2O3S/c1-20(18,19)13-6-3-7-15-14(13)16-9-11-4-2-5-12(8-11)10-17/h2-8,17H,9-10H2,1H3,(H,15,16)
InChIKeyMNJITKUTIZUAJZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.59
Rot. Bonds5

About [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol

[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 114599421) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID114599421
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCS(=O)(=O)c1cccnc1NCc1cccc(CO)c1
InChIInChI=1S/C14H16N2O3S/c1-20(18,19)13-6-3-7-15-14(13)16-9-11-4-2-5-12(8-11)10-17/h2-8,17H,9-10H2,1H3,(H,15,16)
InChIKeyMNJITKUTIZUAJZ-UHFFFAOYSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598676
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 63311555
[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 114156936
2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 106545025
[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 113232104
2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114153459
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870
N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598850
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol
CID 63312168
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692

Frequently Asked Questions

What is the IUPAC name of [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol (CID 114599421) is [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol is CS(=O)(=O)c1cccnc1NCc1cccc(CO)c1.
What is the InChIKey of [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is MNJITKUTIZUAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-20(18,19)13-6-3-7-15-14(13)16-9-11-4-2-5-12(8-11)10-17/h2-8,17H,9-10H2,1H3,(H,15,16).
What are the key properties of [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol?
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 292.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 114599421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).