2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C20H25N3OS — CID 111807784

IUPAC2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CCS(=O)Cc1ccccc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C20H25N3OS/c21-20(22-13-14-25(24)15-16-7-2-1-3-8-16)23-19-12-6-10-17-9-4-5-11-18(17)19/h1-3,6-8,10,12H,4-5,9,11,13-15H2,(H3,21,22,23)
InChIKeyWFKZSYNSYPQDKF-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.24
Rot. Bonds6

About 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 111807784) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID111807784
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CCS(=O)Cc1ccccc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C20H25N3OS/c21-20(22-13-14-25(24)15-16-7-2-1-3-8-16)23-19-12-6-10-17-9-4-5-11-18(17)19/h1-3,6-8,10,12H,4-5,9,11,13-15H2,(H3,21,22,23)
InChIKeyWFKZSYNSYPQDKF-UHFFFAOYSA-N
XLogP3.24
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[2-(benzylsulfamoyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721167
2-(3-anilinopropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721533
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
3-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 111721263
2-[2-(2-oxo-3H-indol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119142363
N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111720888
2-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720841
2-pent-3-enyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111813693
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111812467
2-(5-methoxypentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721526
2-(3-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720602

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 111807784) is 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is N/C(=N\CCS(=O)Cc1ccccc1)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is WFKZSYNSYPQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c21-20(22-13-14-25(24)15-16-7-2-1-3-8-16)23-19-12-6-10-17-9-4-5-11-18(17)19/h1-3,6-8,10,12H,4-5,9,11,13-15H2,(H3,21,22,23).
What are the key properties of 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 355.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 111807784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).