2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide

C11H21N3O3S — CID 77046514

IUPAC2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)C1CC1)C1CCCCC1
InChIInChI=1S/C11H21N3O3S/c12-11(13-15)10(8-4-2-1-3-5-8)14-18(16,17)9-6-7-9/h8-10,14-15H,1-7H2,(H2,12,13)
InChIKeyUMMBNJCYQMPCAI-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.76
Rot. Bonds5

About 2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide

2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide (PubChem CID 77046514) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide
PubChem CID77046514
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)C1CC1)C1CCCCC1
InChIInChI=1S/C11H21N3O3S/c12-11(13-15)10(8-4-2-1-3-5-8)14-18(16,17)9-6-7-9/h8-10,14-15H,1-7H2,(H2,12,13)
InChIKeyUMMBNJCYQMPCAI-UHFFFAOYSA-N
XLogP0.76
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.76
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-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide (CID 77046514) is 2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide is NC(=NO)C(NS(=O)(=O)C1CC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide?
The InChIKey is UMMBNJCYQMPCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c12-11(13-15)10(8-4-2-1-3-5-8)14-18(16,17)9-6-7-9/h8-10,14-15H,1-7H2,(H2,12,13).
What are the key properties of 2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide?
2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide has a molecular weight of 275.37 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(cyclopropylsulfonylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77046514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).