2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine

C18H22N4S — CID 111557464

IUPAC2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CC1(Sc2ccccc2)CC1)NCCc1ccccn1
InChIInChI=1S/C18H22N4S/c19-17(21-13-9-15-6-4-5-12-20-15)22-14-18(10-11-18)23-16-7-2-1-3-8-16/h1-8,12H,9-11,13-14H2,(H3,19,21,22)
InChIKeyWYEWPJSIMNHPHB-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.85
Rot. Bonds7

About 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111557464) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111557464
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CC1(Sc2ccccc2)CC1)NCCc1ccccn1
InChIInChI=1S/C18H22N4S/c19-17(21-13-9-15-6-4-5-12-20-15)22-14-18(10-11-18)23-16-7-2-1-3-8-16/h1-8,12H,9-11,13-14H2,(H3,19,21,22)
InChIKeyWYEWPJSIMNHPHB-UHFFFAOYSA-N
XLogP2.85
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111859747
2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111600960
2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111075397
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111821080
2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111580915
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111821079
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111557464) is 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\CC1(Sc2ccccc2)CC1)NCCc1ccccn1.
What is the InChIKey of 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is WYEWPJSIMNHPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c19-17(21-13-9-15-6-4-5-12-20-15)22-14-18(10-11-18)23-16-7-2-1-3-8-16/h1-8,12H,9-11,13-14H2,(H3,19,21,22).
What are the key properties of 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 326.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111557464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).