2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

C12H23N3O3S — CID 55151780

IUPAC2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESN/C(=N/O)C1CCCC1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H23N3O3S/c13-12(14-16)10-7-4-8-11(10)15-19(17,18)9-5-2-1-3-6-9/h9-11,15-16H,1-8H2,(H2,13,14)
InChIKeySOQNIZOKCJBVCR-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.15
Rot. Bonds4

About 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 55151780) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID55151780
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESN/C(=N/O)C1CCCC1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H23N3O3S/c13-12(14-16)10-7-4-8-11(10)15-19(17,18)9-5-2-1-3-6-9/h9-11,15-16H,1-8H2,(H2,13,14)
InChIKeySOQNIZOKCJBVCR-UHFFFAOYSA-N
XLogP1.15
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.15
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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Related Compounds

CID 83060146
CID 83060146
CID 54947107
CID 54947107
CID 54947895
CID 54947895
CID 55033284
CID 55033284
CID 55101689
CID 55101689
CID 55102407
CID 55102407
CID 55151969
CID 55151969
CID 61454516
CID 61454516
CID 64405823
CID 64405823
CID 64405968
CID 64405968
CID 64407913
CID 64407913
CID 64407915
CID 64407915

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 55151780) is 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is N/C(=N/O)C1CCCC1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is SOQNIZOKCJBVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c13-12(14-16)10-7-4-8-11(10)15-19(17,18)9-5-2-1-3-6-9/h9-11,15-16H,1-8H2,(H2,13,14).
What are the key properties of 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 289.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 55151780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).