N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide

C7H17N3O4S — CID 79594323

IUPACN'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
SMILESCC(C)OCCS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C7H17N3O4S/c1-6(2)14-3-4-15(12,13)9-5-7(8)10-11/h6,9,11H,3-5H2,1-2H3,(H2,8,10)
InChIKeyDEHHCZSHKYADKM-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.92
Rot. Bonds7

About N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide

N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide (PubChem CID 79594323) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
PubChem CID79594323
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC NameN'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
SMILESCC(C)OCCS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C7H17N3O4S/c1-6(2)14-3-4-15(12,13)9-5-7(8)10-11/h6,9,11H,3-5H2,1-2H3,(H2,8,10)
InChIKeyDEHHCZSHKYADKM-UHFFFAOYSA-N
XLogP-0.92
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.92
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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Related Compounds

N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)butanimidamide
CID 79593807
N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 104873870
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide
CID 107258283
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
4-(2-propan-2-yloxyethylsulfonylamino)butanethioamide
CID 79593867
N-(3-aminopropyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119405243
3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 79601046
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)benzenecarboximidamide
CID 79593806

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide (CID 79594323) is N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide is CC(C)OCCS(=O)(=O)NCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide?
The InChIKey is DEHHCZSHKYADKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S/c1-6(2)14-3-4-15(12,13)9-5-7(8)10-11/h6,9,11H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide?
N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide has a molecular weight of 239.30 g/mol, XLogP of -0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide is sourced from PubChem (CID 79594323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).