3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide

C14H15N3O3S — CID 62894922

IUPAC3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H15N3O3S/c1-21(18,19)12-6-2-5-11(8-12)20-9-10-4-3-7-17-13(10)14(15)16/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyFIKSYANBCYNAQC-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.35
Rot. Bonds5

About 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide

3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide (PubChem CID 62894922) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide
PubChem CID62894922
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H15N3O3S/c1-21(18,19)12-6-2-5-11(8-12)20-9-10-4-3-7-17-13(10)14(15)16/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyFIKSYANBCYNAQC-UHFFFAOYSA-N
XLogP1.35
TPSA106.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895899
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894239
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772
3-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 83234793
3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
CID 62893374
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 81331646
3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894235
3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 62893556
3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
CID 62893728

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide (CID 62894922) is 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide?
The InChIKey is FIKSYANBCYNAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-21(18,19)12-6-2-5-11(8-12)20-9-10-4-3-7-17-13(10)14(15)16/h2-8H,9H2,1H3,(H3,15,16).
What are the key properties of 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide?
3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide has a molecular weight of 305.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62894922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).