N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine

C13H14N2O2S — CID 47280586

IUPACN-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(CNc2ccccn2)cc1
InChIInChI=1S/C13H14N2O2S/c1-18(16,17)12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)
InChIKeyXYBYJJCYIGAZME-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.10
Rot. Bonds4

About N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine

N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine (PubChem CID 47280586) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
PubChem CID47280586
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(CNc2ccccn2)cc1
InChIInChI=1S/C13H14N2O2S/c1-18(16,17)12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)
InChIKeyXYBYJJCYIGAZME-UHFFFAOYSA-N
XLogP2.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
N-[(4-methylsulfonylphenyl)methyl]-3-nitropyridin-2-amine
CID 60502817
5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 44591368
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine
CID 79175645
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 511956
5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine
CID 106549687
3-bromo-N-[(4-methylsulfonylphenyl)methyl]pyridin-4-amine
CID 104776984
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
2-(4-methylsulfonylphenyl)-1-pyridin-2-ylethanone
CID 22350079
N-[(2-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 115692595
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine (CID 47280586) is N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine is CS(=O)(=O)c1ccc(CNc2ccccn2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine?
The InChIKey is XYBYJJCYIGAZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-18(16,17)12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine?
N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine has a molecular weight of 262.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 47280586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).