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

C9H17N3O3S — CID 77052437

IUPAC2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)CC1CC1)C1CC1
InChIInChI=1S/C9H17N3O3S/c10-9(11-13)8(7-3-4-7)12-16(14,15)5-6-1-2-6/h6-8,12-13H,1-5H2,(H2,10,11)
InChIKeyTUQXAGPIRYGAQT-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.16
Rot. Bonds6

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

2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide (PubChem CID 77052437) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide
PubChem CID77052437
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)CC1CC1)C1CC1
InChIInChI=1S/C9H17N3O3S/c10-9(11-13)8(7-3-4-7)12-16(14,15)5-6-1-2-6/h6-8,12-13H,1-5H2,(H2,10,11)
InChIKeyTUQXAGPIRYGAQT-UHFFFAOYSA-N
XLogP-0.16
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.16
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-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide (CID 77052437) is 2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide is NC(=NO)C(NS(=O)(=O)CC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide?
The InChIKey is TUQXAGPIRYGAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c10-9(11-13)8(7-3-4-7)12-16(14,15)5-6-1-2-6/h6-8,12-13H,1-5H2,(H2,10,11).
What are the key properties of 2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide?
2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide has a molecular weight of 247.32 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77052437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).