4-(2-benzylsulfonylethyl)pyridin-2-amine

C14H16N2O2S — CID 57251584

IUPAC4-(2-benzylsulfonylethyl)pyridin-2-amine
SMILESNc1cc(CCS(=O)(=O)Cc2ccccc2)ccn1
InChIInChI=1S/C14H16N2O2S/c15-14-10-12(6-8-16-14)7-9-19(17,18)11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11H2,(H2,15,16)
InChIKeyQNYJIEYRKIOSSY-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.82
Rot. Bonds5

About 4-(2-benzylsulfonylethyl)pyridin-2-amine

4-(2-benzylsulfonylethyl)pyridin-2-amine (PubChem CID 57251584) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(2-benzylsulfonylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-benzylsulfonylethyl)pyridin-2-amine
PubChem CID57251584
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-(2-benzylsulfonylethyl)pyridin-2-amine
SMILESNc1cc(CCS(=O)(=O)Cc2ccccc2)ccn1
InChIInChI=1S/C14H16N2O2S/c15-14-10-12(6-8-16-14)7-9-19(17,18)11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11H2,(H2,15,16)
InChIKeyQNYJIEYRKIOSSY-UHFFFAOYSA-N
XLogP1.82
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-propylsulfonylpropyl)pyridin-2-amine
CID 106731731
2-(2-benzylsulfonylethyl)aniline
CID 62496096
4-benzylsulfonylbutan-1-ol
CID 68839757
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
4-(2-chloroethyl)pyridin-2-amine
CID 91610191
4-[[benzyl(methyl)amino]methyl]pyridin-2-amine
CID 62472016
4-(2-benzylsulfonylethyl)-1-methylpyrazole
CID 126828701
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450
2-(2-amino-4-pyridinyl)acetonitrile
CID 45382143
3-benzylsulfonylpropanamide;hydrochloride
CID 142652348
3-methyl-5-(2-phenylethylsulfonylmethyl)-1,2-oxazole
CID 71941898
3-[4-(3-phenylpropyl)-2-pyridinyl]propane-1-sulfonic acid
CID 87886254

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylsulfonylethyl)pyridin-2-amine?
The IUPAC name of 4-(2-benzylsulfonylethyl)pyridin-2-amine (CID 57251584) is 4-(2-benzylsulfonylethyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-benzylsulfonylethyl)pyridin-2-amine?
The canonical SMILES for 4-(2-benzylsulfonylethyl)pyridin-2-amine is Nc1cc(CCS(=O)(=O)Cc2ccccc2)ccn1.
What is the InChIKey of 4-(2-benzylsulfonylethyl)pyridin-2-amine?
The InChIKey is QNYJIEYRKIOSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-14-10-12(6-8-16-14)7-9-19(17,18)11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11H2,(H2,15,16).
What are the key properties of 4-(2-benzylsulfonylethyl)pyridin-2-amine?
4-(2-benzylsulfonylethyl)pyridin-2-amine has a molecular weight of 276.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylsulfonylethyl)pyridin-2-amine is sourced from PubChem (CID 57251584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).