3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide

C11H23N3O3S — CID 55101689

IUPAC3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H23N3O3S/c1-2-9(8-11(12)13-15)14-18(16,17)10-6-4-3-5-7-10/h9-10,14-15H,2-8H2,1H3,(H2,12,13)
InChIKeySXGRLXSWHWSTRV-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.15
Rot. Bonds6

About 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide

3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide (PubChem CID 55101689) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide
PubChem CID55101689
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H23N3O3S/c1-2-9(8-11(12)13-15)14-18(16,17)10-6-4-3-5-7-10/h9-10,14-15H,2-8H2,1H3,(H2,12,13)
InChIKeySXGRLXSWHWSTRV-UHFFFAOYSA-N
XLogP1.15
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide (CID 55101689) is 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide?
The InChIKey is SXGRLXSWHWSTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-2-9(8-11(12)13-15)14-18(16,17)10-6-4-3-5-7-10/h9-10,14-15H,2-8H2,1H3,(H2,12,13).
What are the key properties of 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide?
3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide has a molecular weight of 277.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 55101689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).