1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine

C14H23FN4O3S — CID 111419341

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine
SMILESC/N=C(\NCCNS(C)(=O)=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C14H23FN4O3S/c1-16-14(17-8-9-18-23(3,20)21)19(2)10-11-22-13-7-5-4-6-12(13)15/h4-7,18H,8-11H2,1-3H3,(H,16,17)
InChIKeyCCENWHWHLMMQKY-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.26
Rot. Bonds8

About 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine

1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine (PubChem CID 111419341) has the molecular formula C14H23FN4O3S and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine
PubChem CID111419341
Molecular FormulaC14H23FN4O3S
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine
SMILESC/N=C(\NCCNS(C)(=O)=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C14H23FN4O3S/c1-16-14(17-8-9-18-23(3,20)21)19(2)10-11-22-13-7-5-4-6-12(13)15/h4-7,18H,8-11H2,1-3H3,(H,16,17)
InChIKeyCCENWHWHLMMQKY-UHFFFAOYSA-N
XLogP0.26
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[N-[2-(2-fluorophenoxy)ethyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111419461
3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine
CID 111499815
1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111419415
1-[2-(4-chlorophenoxy)ethyl]-3-[3-(methanesulfonamido)propyl]-1,2-dimethylguanidine;hydroiodide
CID 111308579
3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 119153567
1-[(2-chloro-6-fluorophenyl)methyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 119131639
N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide
CID 131921415
1-[2-(4-chlorophenoxy)ethyl]-3-[2-(ethylsulfonylamino)ethyl]-1,2-dimethylguanidine
CID 111308154
1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethyl-3-[(4-methylsulfanyloxan-4-yl)methyl]guanidine;hydroiodide
CID 111520774
1,2-dimethyl-1-[2-(2-methylphenoxy)ethyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111985196
2-[2-(diethylsulfamoyl)ethyl]-3-ethyl-1-[2-(2-fluorophenoxy)ethyl]-1-methylguanidine;hydroiodide
CID 111982360
3-[3-(methanesulfonamido)propyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111282663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine (CID 111419341) is 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine is C/N=C(\NCCNS(C)(=O)=O)N(C)CCOc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine?
The InChIKey is CCENWHWHLMMQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O3S/c1-16-14(17-8-9-18-23(3,20)21)19(2)10-11-22-13-7-5-4-6-12(13)15/h4-7,18H,8-11H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine?
1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine has a molecular weight of 346.43 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine is sourced from PubChem (CID 111419341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).