2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide

C7H18N4O2S — CID 114813558

IUPAC2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C(C)C)S(=O)(=O)NCC
InChIInChI=1S/C7H18N4O2S/c1-4-10-14(12,13)11(6(2)3)5-7(8)9/h6,10H,4-5H2,1-3H3,(H3,8,9)
InChIKeyOSPXGWCEEIBQSC-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.51
Rot. Bonds6

About 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide

2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide (PubChem CID 114813558) has the molecular formula C7H18N4O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide
PubChem CID114813558
Molecular FormulaC7H18N4O2S
Molecular Weight222.31 g/mol
Exact Mass222.12
IUPAC Name2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C(C)C)S(=O)(=O)NCC
InChIInChI=1S/C7H18N4O2S/c1-4-10-14(12,13)11(6(2)3)5-7(8)9/h6,10H,4-5H2,1-3H3,(H3,8,9)
InChIKeyOSPXGWCEEIBQSC-UHFFFAOYSA-N
XLogP-0.51
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide?
The IUPAC name of 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide (CID 114813558) is 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide.
What is the SMILES notation for 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide?
The canonical SMILES for 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide is [H]/N=C(\N)CN(C(C)C)S(=O)(=O)NCC.
What is the InChIKey of 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide?
The InChIKey is OSPXGWCEEIBQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2S/c1-4-10-14(12,13)11(6(2)3)5-7(8)9/h6,10H,4-5H2,1-3H3,(H3,8,9).
What are the key properties of 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide?
2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide has a molecular weight of 222.31 g/mol, XLogP of -0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide is sourced from PubChem (CID 114813558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).