2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine

C13H16N4O2S — CID 59760812

IUPAC2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine
SMILESNC(N)=NCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H16N4O2S/c14-13(15)16-8-9-17-20(18,19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,17H,8-9H2,(H4,14,15,16)
InChIKeyVNFWCDZBTJAWSE-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.39
Rot. Bonds5

About 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine

2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine (PubChem CID 59760812) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine
PubChem CID59760812
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine
SMILESNC(N)=NCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H16N4O2S/c14-13(15)16-8-9-17-20(18,19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,17H,8-9H2,(H4,14,15,16)
InChIKeyVNFWCDZBTJAWSE-UHFFFAOYSA-N
XLogP0.39
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine (CID 59760812) is 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine is NC(N)=NCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine?
The InChIKey is VNFWCDZBTJAWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-13(15)16-8-9-17-20(18,19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,17H,8-9H2,(H4,14,15,16).
What are the key properties of 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine?
2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine has a molecular weight of 292.36 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-1-ylsulfonylamino)ethyl]guanidine is sourced from PubChem (CID 59760812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).