2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine

C13H17N5O2S — CID 5058442

IUPAC2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine
SMILESCN(C)c1cccc2c(S(=O)(=O)NN=C(N)N)cccc12
InChIInChI=1S/C13H17N5O2S/c1-18(2)11-7-3-6-10-9(11)5-4-8-12(10)21(19,20)17-16-13(14)15/h3-8,17H,1-2H3,(H4,14,15,16)
InChIKeyQDJMPJLVUGQLNM-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.37
Rot. Bonds4

About 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine

2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine (PubChem CID 5058442) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine.

Molecular Properties

Compound Name2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine
PubChem CID5058442
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine
SMILESCN(C)c1cccc2c(S(=O)(=O)NN=C(N)N)cccc12
InChIInChI=1S/C13H17N5O2S/c1-18(2)11-7-3-6-10-9(11)5-4-8-12(10)21(19,20)17-16-13(14)15/h3-8,17H,1-2H3,(H4,14,15,16)
InChIKeyQDJMPJLVUGQLNM-UHFFFAOYSA-N
XLogP0.37
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine?
The IUPAC name of 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine (CID 5058442) is 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine.
What is the SMILES notation for 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine?
The canonical SMILES for 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine is CN(C)c1cccc2c(S(=O)(=O)NN=C(N)N)cccc12.
What is the InChIKey of 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine?
The InChIKey is QDJMPJLVUGQLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-18(2)11-7-3-6-10-9(11)5-4-8-12(10)21(19,20)17-16-13(14)15/h3-8,17H,1-2H3,(H4,14,15,16).
What are the key properties of 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine?
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine has a molecular weight of 307.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]guanidine is sourced from PubChem (CID 5058442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).