2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide

C10H15FIN3S — CID 110884483

IUPAC2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide
SMILESI.NC(N)=NCCSCc1ccccc1F
InChIInChI=1S/C10H14FN3S.HI/c11-9-4-2-1-3-8(9)7-15-6-5-14-10(12)13;/h1-4H,5-7H2,(H4,12,13,14);1H
InChIKeyNKVISLKAJJNDAV-UHFFFAOYSA-N
MW355.22 g/mol
LogP1.95
Rot. Bonds5

About 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide

2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide (PubChem CID 110884483) has the molecular formula C10H15FIN3S and a molecular weight of 355.22 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide
PubChem CID110884483
Molecular FormulaC10H15FIN3S
Molecular Weight355.22 g/mol
Exact Mass355.00
IUPAC Name2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide
SMILESI.NC(N)=NCCSCc1ccccc1F
InChIInChI=1S/C10H14FN3S.HI/c11-9-4-2-1-3-8(9)7-15-6-5-14-10(12)13;/h1-4H,5-7H2,(H4,12,13,14);1H
InChIKeyNKVISLKAJJNDAV-UHFFFAOYSA-N
XLogP1.95
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)methylsulfanyl]ethanamine;hydrochloride
CID 21425273
1-(2,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine
CID 111032776
1-(3-chloro-4-methoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine
CID 111032792
(2S)-2-amino-4-[(2-fluorophenyl)methylsulfanyl]butanoic acid
CID 57255612
3-[(2-fluorophenyl)methylsulfanyl]propanoic acid
CID 3239663
2-[2-[(2-oxochromen-3-yl)methylsulfanyl]ethyl]guanidine
CID 167094479
1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
CID 87128685
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967
2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine
CID 21410033
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine
CID 111141383
4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 78806424
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methylguanidine;hydroiodide
CID 111200599

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide (CID 110884483) is 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide is I.NC(N)=NCCSCc1ccccc1F.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide?
The InChIKey is NKVISLKAJJNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3S.HI/c11-9-4-2-1-3-8(9)7-15-6-5-14-10(12)13;/h1-4H,5-7H2,(H4,12,13,14);1H.
What are the key properties of 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide?
2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide has a molecular weight of 355.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110884483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).