2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide

C6H13N3O3S — CID 77039127

IUPAC2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide
SMILESCS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)9-5(4-2-3-4)6(7)8-10/h4-5,9-10H,2-3H2,1H3,(H2,7,8)
InChIKeyPYZIMFHVYUMIQD-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.94
Rot. Bonds4

About 2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide

2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide (PubChem CID 77039127) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide
PubChem CID77039127
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide
SMILESCS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)9-5(4-2-3-4)6(7)8-10/h4-5,9-10H,2-3H2,1H3,(H2,7,8)
InChIKeyPYZIMFHVYUMIQD-UHFFFAOYSA-N
XLogP-0.94
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.94
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-N'-hydroxy-2-(methanesulfonamido)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide (CID 77039127) is 2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide is CS(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide?
The InChIKey is PYZIMFHVYUMIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-13(11,12)9-5(4-2-3-4)6(7)8-10/h4-5,9-10H,2-3H2,1H3,(H2,7,8).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide has a molecular weight of 207.25 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide is sourced from PubChem (CID 77039127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).