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

C13H15N3O3S — CID 134586819

IUPAC[4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide
SMILESNCc1cc(Oc2ccc(CS(N)(=O)=O)cc2)ccn1
InChIInChI=1S/C13H15N3O3S/c14-8-11-7-13(5-6-16-11)19-12-3-1-10(2-4-12)9-20(15,17)18/h1-7H,8-9,14H2,(H2,15,17,18)
InChIKeyLIKOWKSMJPRDNC-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.12
Rot. Bonds5

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

[4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide (PubChem CID 134586819) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is [4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide
PubChem CID134586819
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name[4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide
SMILESNCc1cc(Oc2ccc(CS(N)(=O)=O)cc2)ccn1
InChIInChI=1S/C13H15N3O3S/c14-8-11-7-13(5-6-16-11)19-12-3-1-10(2-4-12)9-20(15,17)18/h1-7H,8-9,14H2,(H2,15,17,18)
InChIKeyLIKOWKSMJPRDNC-UHFFFAOYSA-N
XLogP1.12
TPSA108.30 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-ethylphenoxy)-2-pyridinyl]methanamine
CID 62295885
[4-(4-phenylmethoxyphenoxy)-2-pyridinyl]methanamine
CID 69017208
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159
[4-(3-bromophenoxy)-2-pyridinyl]methanamine
CID 62322517
[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 134598594
[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
CID 91020906
[4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol
CID 61257761
[4-(2-ethoxyphenoxy)-2-pyridinyl]methanamine
CID 62298325
4-[4-(aminomethyl)phenoxy]benzenesulfonamide
CID 106485731
[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
CID 55125081
[4-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 62291672

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide?
The IUPAC name of [4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide (CID 134586819) is [4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide?
The canonical SMILES for [4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide is NCc1cc(Oc2ccc(CS(N)(=O)=O)cc2)ccn1.
What is the InChIKey of [4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide?
The InChIKey is LIKOWKSMJPRDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-8-11-7-13(5-6-16-11)19-12-3-1-10(2-4-12)9-20(15,17)18/h1-7H,8-9,14H2,(H2,15,17,18).
What are the key properties of [4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide?
[4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide is sourced from PubChem (CID 134586819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).