2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide

C9H19N3O3S — CID 61454549

IUPAC2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide
SMILESNC(CNS(=O)(=O)CC1CCCCC1)=NO
InChIInChI=1S/C9H19N3O3S/c10-9(12-13)6-11-16(14,15)7-8-4-2-1-3-5-8/h8,11,13H,1-7H2,(H2,10,12)
InChIKeyAKUZEZIQTALZRK-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.23
Rot. Bonds5

About 2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide

2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide (PubChem CID 61454549) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide
PubChem CID61454549
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide
SMILESNC(CNS(=O)(=O)CC1CCCCC1)=NO
InChIInChI=1S/C9H19N3O3S/c10-9(12-13)6-11-16(14,15)7-8-4-2-1-3-5-8/h8,11,13H,1-7H2,(H2,10,12)
InChIKeyAKUZEZIQTALZRK-UHFFFAOYSA-N
XLogP0.23
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.23
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)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide (CID 61454549) is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide is NC(CNS(=O)(=O)CC1CCCCC1)=NO.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide?
The InChIKey is AKUZEZIQTALZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c10-9(12-13)6-11-16(14,15)7-8-4-2-1-3-5-8/h8,11,13H,1-7H2,(H2,10,12).
What are the key properties of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide?
2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide has a molecular weight of 249.34 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 61454549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).