N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide

C13H15N3O3S — CID 135305160

IUPACN-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2cc(CN)ccn2)cc1
InChIInChI=1S/C13H15N3O3S/c1-20(17,18)16-11-2-4-12(5-3-11)19-13-8-10(9-14)6-7-15-13/h2-8,16H,9,14H2,1H3
InChIKeyUGJZZFPEVDWNRA-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.70
Rot. Bonds5

About N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide

N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide (PubChem CID 135305160) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide
PubChem CID135305160
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2cc(CN)ccn2)cc1
InChIInChI=1S/C13H15N3O3S/c1-20(17,18)16-11-2-4-12(5-3-11)19-13-8-10(9-14)6-7-15-13/h2-8,16H,9,14H2,1H3
InChIKeyUGJZZFPEVDWNRA-UHFFFAOYSA-N
XLogP1.70
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide
CID 158179549
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094
N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide
CID 1269047
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine
CID 141407855
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
2-(2-phenoxy-4-pyridinyl)ethanamine
CID 154870139
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 122516140
N-[4-[6-[[(5-chloropyrimidin-2-yl)amino]methyl]-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 134586875

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide (CID 135305160) is N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Oc2cc(CN)ccn2)cc1.
What is the InChIKey of N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide?
The InChIKey is UGJZZFPEVDWNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-20(17,18)16-11-2-4-12(5-3-11)19-13-8-10(9-14)6-7-15-13/h2-8,16H,9,14H2,1H3.
What are the key properties of N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide?
N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide is sourced from PubChem (CID 135305160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).