2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide

C7H15N3O3S — CID 77038983

IUPAC2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide
SMILESCCS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C7H15N3O3S/c1-2-14(12,13)10-6(5-3-4-5)7(8)9-11/h5-6,10-11H,2-4H2,1H3,(H2,8,9)
InChIKeyNRVKUTNQSWSEOZ-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.55
Rot. Bonds5

About 2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide

2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide (PubChem CID 77038983) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide
PubChem CID77038983
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide
SMILESCCS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C7H15N3O3S/c1-2-14(12,13)10-6(5-3-4-5)7(8)9-11/h5-6,10-11H,2-4H2,1H3,(H2,8,9)
InChIKeyNRVKUTNQSWSEOZ-UHFFFAOYSA-N
XLogP-0.55
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.55
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': 'oxime_1', '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-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide (CID 77038983) is 2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide is CCS(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide?
The InChIKey is NRVKUTNQSWSEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-2-14(12,13)10-6(5-3-4-5)7(8)9-11/h5-6,10-11H,2-4H2,1H3,(H2,8,9).
What are the key properties of 2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide?
2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide has a molecular weight of 221.28 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77038983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).