N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide

C10H15N3O3S — CID 80687011

IUPACN'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide
SMILESN/C(CNS(=O)(=O)CCc1ccccc1)=N/O
InChIInChI=1S/C10H15N3O3S/c11-10(13-14)8-12-17(15,16)7-6-9-4-2-1-3-5-9/h1-5,12,14H,6-8H2,(H2,11,13)
InChIKeyIDDDIAMQYCRKKI-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.11
Rot. Bonds6

About N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide

N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide (PubChem CID 80687011) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide
PubChem CID80687011
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide
SMILESN/C(CNS(=O)(=O)CCc1ccccc1)=N/O
InChIInChI=1S/C10H15N3O3S/c11-10(13-14)8-12-17(15,16)7-6-9-4-2-1-3-5-9/h1-5,12,14H,6-8H2,(H2,11,13)
InChIKeyIDDDIAMQYCRKKI-UHFFFAOYSA-N
XLogP-0.11
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.11
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

N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide
CID 77036641
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 107233959
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide
CID 103110484
N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112996509
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
N-[[3-(chloromethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 80690880
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-[[3-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 114298015
3-[cyclopropyl(2-phenylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 80690874
2-(benzylsulfonylamino)ethanethioamide
CID 61127504
2-ethyl-2-(2-phenylethylsulfonylamino)butanethioamide
CID 80686540

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide (CID 80687011) is N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide is N/C(CNS(=O)(=O)CCc1ccccc1)=N/O.
What is the InChIKey of N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide?
The InChIKey is IDDDIAMQYCRKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-10(13-14)8-12-17(15,16)7-6-9-4-2-1-3-5-9/h1-5,12,14H,6-8H2,(H2,11,13).
What are the key properties of N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide?
N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide has a molecular weight of 257.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide is sourced from PubChem (CID 80687011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).