2-(3-amino-2,5-diethylphenyl)sulfonylguanidine

C11H18N4O2S — CID 107407059

IUPAC2-(3-amino-2,5-diethylphenyl)sulfonylguanidine
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N=C(N)N)c1
InChIInChI=1S/C11H18N4O2S/c1-3-7-5-9(12)8(4-2)10(6-7)18(16,17)15-11(13)14/h5-6H,3-4,12H2,1-2H3,(H4,13,14,15)
InChIKeySGUWHQRIFAITQD-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.36
Rot. Bonds4

About 2-(3-amino-2,5-diethylphenyl)sulfonylguanidine

2-(3-amino-2,5-diethylphenyl)sulfonylguanidine (PubChem CID 107407059) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(3-amino-2,5-diethylphenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(3-amino-2,5-diethylphenyl)sulfonylguanidine
PubChem CID107407059
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-(3-amino-2,5-diethylphenyl)sulfonylguanidine
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N=C(N)N)c1
InChIInChI=1S/C11H18N4O2S/c1-3-7-5-9(12)8(4-2)10(6-7)18(16,17)15-11(13)14/h5-6H,3-4,12H2,1-2H3,(H4,13,14,15)
InChIKeySGUWHQRIFAITQD-UHFFFAOYSA-N
XLogP0.36
TPSA124.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(3-amino-2,5-diethylphenyl)sulfonylguanidine?
The IUPAC name of 2-(3-amino-2,5-diethylphenyl)sulfonylguanidine (CID 107407059) is 2-(3-amino-2,5-diethylphenyl)sulfonylguanidine.
What is the SMILES notation for 2-(3-amino-2,5-diethylphenyl)sulfonylguanidine?
The canonical SMILES for 2-(3-amino-2,5-diethylphenyl)sulfonylguanidine is CCc1cc(N)c(CC)c(S(=O)(=O)N=C(N)N)c1.
What is the InChIKey of 2-(3-amino-2,5-diethylphenyl)sulfonylguanidine?
The InChIKey is SGUWHQRIFAITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-7-5-9(12)8(4-2)10(6-7)18(16,17)15-11(13)14/h5-6H,3-4,12H2,1-2H3,(H4,13,14,15).
What are the key properties of 2-(3-amino-2,5-diethylphenyl)sulfonylguanidine?
2-(3-amino-2,5-diethylphenyl)sulfonylguanidine has a molecular weight of 270.36 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,5-diethylphenyl)sulfonylguanidine is sourced from PubChem (CID 107407059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).