N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide

C10H21N3O4S — CID 55014543

IUPACN'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
SMILESCOCCS(=O)(=O)NC1(/C(N)=N/O)CCCCC1
InChIInChI=1S/C10H21N3O4S/c1-17-7-8-18(15,16)13-10(9(11)12-14)5-3-2-4-6-10/h13-14H,2-8H2,1H3,(H2,11,12)
InChIKeyIBBCDUSNJKJSQB-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.00
Rot. Bonds6

About N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide

N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide (PubChem CID 55014543) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
PubChem CID55014543
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC NameN'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
SMILESCOCCS(=O)(=O)NC1(/C(N)=N/O)CCCCC1
InChIInChI=1S/C10H21N3O4S/c1-17-7-8-18(15,16)13-10(9(11)12-14)5-3-2-4-6-10/h13-14H,2-8H2,1H3,(H2,11,12)
InChIKeyIBBCDUSNJKJSQB-UHFFFAOYSA-N
XLogP0.00
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide (CID 55014543) is N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide is COCCS(=O)(=O)NC1(/C(N)=N/O)CCCCC1.
What is the InChIKey of N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide?
The InChIKey is IBBCDUSNJKJSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-17-7-8-18(15,16)13-10(9(11)12-14)5-3-2-4-6-10/h13-14H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide has a molecular weight of 279.36 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 55014543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).