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

C12H23N3O3S — CID 77039193

IUPAC2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)CC1CCCCC1)C1CC1
InChIInChI=1S/C12H23N3O3S/c13-12(14-16)11(10-6-7-10)15-19(17,18)8-9-4-2-1-3-5-9/h9-11,15-16H,1-8H2,(H2,13,14)
InChIKeyHIYHBDARSWBINC-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.01
Rot. Bonds6

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

2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide (PubChem CID 77039193) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide
PubChem CID77039193
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)CC1CCCCC1)C1CC1
InChIInChI=1S/C12H23N3O3S/c13-12(14-16)11(10-6-7-10)15-19(17,18)8-9-4-2-1-3-5-9/h9-11,15-16H,1-8H2,(H2,13,14)
InChIKeyHIYHBDARSWBINC-UHFFFAOYSA-N
XLogP1.01
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.01
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-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide (CID 77039193) is 2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide is NC(=NO)C(NS(=O)(=O)CC1CCCCC1)C1CC1.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide?
The InChIKey is HIYHBDARSWBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c13-12(14-16)11(10-6-7-10)15-19(17,18)8-9-4-2-1-3-5-9/h9-11,15-16H,1-8H2,(H2,13,14).
What are the key properties of 2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide?
2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide has a molecular weight of 289.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide is sourced from PubChem (CID 77039193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).