3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

C10H23N3O3S — CID 54996337

IUPAC3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCCCCS(=O)(=O)N(CC/C(N)=N/O)C(C)C
InChIInChI=1S/C10H23N3O3S/c1-4-5-8-17(15,16)13(9(2)3)7-6-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyXFPHNPDLWUCEOA-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.96
Rot. Bonds8

About 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 54996337) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
PubChem CID54996337
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCCCCS(=O)(=O)N(CC/C(N)=N/O)C(C)C
InChIInChI=1S/C10H23N3O3S/c1-4-5-8-17(15,16)13(9(2)3)7-6-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyXFPHNPDLWUCEOA-UHFFFAOYSA-N
XLogP0.96
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
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-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide
CID 77008670
3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996916
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978369
N'-hydroxy-3-[(4-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 76911536
3-[ethyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
CID 76910513
3-[3-methoxypropylsulfonyl(propan-2-yl)amino]propanethioamide
CID 55171154
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
N'-hydroxy-2-propylsulfonylethanimidamide
CID 86311128
4-ethylsulfonyl-N'-hydroxybutanimidamide
CID 77055434
N'-hydroxy-3-[(2-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 77077386

Frequently Asked Questions

What is the IUPAC name of 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (CID 54996337) is 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is CCCCS(=O)(=O)N(CC/C(N)=N/O)C(C)C.
What is the InChIKey of 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is XFPHNPDLWUCEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-4-5-8-17(15,16)13(9(2)3)7-6-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 265.38 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54996337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).