2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide

C7H16N4O2S — CID 114813539

IUPAC2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC)C1CC1
InChIInChI=1S/C7H16N4O2S/c1-2-10-14(12,13)11-6(7(8)9)5-3-4-5/h5-6,10-11H,2-4H2,1H3,(H3,8,9)
InChIKeyFLJSUQDBRXHYHK-UHFFFAOYSA-N
MW220.30 g/mol
LogP-0.86
Rot. Bonds6

About 2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide

2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide (PubChem CID 114813539) has the molecular formula C7H16N4O2S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide
PubChem CID114813539
Molecular FormulaC7H16N4O2S
Molecular Weight220.30 g/mol
Exact Mass220.10
IUPAC Name2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC)C1CC1
InChIInChI=1S/C7H16N4O2S/c1-2-10-14(12,13)11-6(7(8)9)5-3-4-5/h5-6,10-11H,2-4H2,1H3,(H3,8,9)
InChIKeyFLJSUQDBRXHYHK-UHFFFAOYSA-N
XLogP-0.86
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
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-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide (CID 114813539) is 2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)NCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide?
The InChIKey is FLJSUQDBRXHYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2S/c1-2-10-14(12,13)11-6(7(8)9)5-3-4-5/h5-6,10-11H,2-4H2,1H3,(H3,8,9).
What are the key properties of 2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide?
2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide has a molecular weight of 220.30 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 114813539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).