2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide

C8H18N4O2S — CID 114813534

IUPAC2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NC(C)C)C1CC1
InChIInChI=1S/C8H18N4O2S/c1-5(2)11-15(13,14)12-7(8(9)10)6-3-4-6/h5-7,11-12H,3-4H2,1-2H3,(H3,9,10)
InChIKeyUNERJBVPSYLEST-UHFFFAOYSA-N
MW234.33 g/mol
LogP-0.47
Rot. Bonds6

About 2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide

2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide (PubChem CID 114813534) has the molecular formula C8H18N4O2S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide
PubChem CID114813534
Molecular FormulaC8H18N4O2S
Molecular Weight234.33 g/mol
Exact Mass234.12
IUPAC Name2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NC(C)C)C1CC1
InChIInChI=1S/C8H18N4O2S/c1-5(2)11-15(13,14)12-7(8(9)10)6-3-4-6/h5-7,11-12H,3-4H2,1-2H3,(H3,9,10)
InChIKeyUNERJBVPSYLEST-UHFFFAOYSA-N
XLogP-0.47
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 5-0.47
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-(propan-2-ylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide (CID 114813534) is 2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide?
The InChIKey is UNERJBVPSYLEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c1-5(2)11-15(13,14)12-7(8(9)10)6-3-4-6/h5-7,11-12H,3-4H2,1-2H3,(H3,9,10).
What are the key properties of 2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide?
2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide has a molecular weight of 234.33 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 114813534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).