N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide

C14H23N3O3S — CID 106725316

IUPACN'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide
SMILESCC(C)S(=O)(=O)CCN(CC/C(N)=N/O)c1ccccc1
InChIInChI=1S/C14H23N3O3S/c1-12(2)21(19,20)11-10-17(9-8-14(15)16-18)13-6-4-3-5-7-13/h3-7,12,18H,8-11H2,1-2H3,(H2,15,16)
InChIKeyDSKJODFNKFIAHW-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.45
Rot. Bonds8

About N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide

N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide (PubChem CID 106725316) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide
PubChem CID106725316
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide
SMILESCC(C)S(=O)(=O)CCN(CC/C(N)=N/O)c1ccccc1
InChIInChI=1S/C14H23N3O3S/c1-12(2)21(19,20)11-10-17(9-8-14(15)16-18)13-6-4-3-5-7-13/h3-7,12,18H,8-11H2,1-2H3,(H2,15,16)
InChIKeyDSKJODFNKFIAHW-UHFFFAOYSA-N
XLogP1.45
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
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'}

Analyze N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[N-(2-methylpropylsulfonyl)anilino]propanimidamide
CID 77045007
N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
CID 24710523
N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide
CID 43185342
N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
CID 106725354
methyl N-[[(3Z)-3-amino-3-hydroxyiminopropyl]-phenylsulfamoyl]carbamate
CID 114465885
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
N'-hydroxy-3-[N-[2-(2,2,2-trifluoroethoxy)ethyl]anilino]propanimidamide
CID 76905179
N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide
CID 24708680
3-[ethyl(2-phenylpropylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 80690726
N'-hydroxy-3-[(2-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 77077386
3-[N-(3-methylsulfonylpropyl)anilino]propanimidamide
CID 63191645
3-(N-ethyl-4-methylanilino)-N'-hydroxypropanimidamide
CID 76931165

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide (CID 106725316) is N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide is CC(C)S(=O)(=O)CCN(CC/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide?
The InChIKey is DSKJODFNKFIAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12(2)21(19,20)11-10-17(9-8-14(15)16-18)13-6-4-3-5-7-13/h3-7,12,18H,8-11H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide?
N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide has a molecular weight of 313.42 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide is sourced from PubChem (CID 106725316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).