2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide

C10H23N3O3S — CID 77045063

IUPAC2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H23N3O3S/c1-5-6-13(7-9(11)12-14)17(15,16)8-10(2,3)4/h14H,5-8H2,1-4H3,(H2,11,12)
InChIKeySAWSEWBLAJOURY-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.82
Rot. Bonds6

About 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide

2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77045063) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
PubChem CID77045063
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H23N3O3S/c1-5-6-13(7-9(11)12-14)17(15,16)8-10(2,3)4/h14H,5-8H2,1-4H3,(H2,11,12)
InChIKeySAWSEWBLAJOURY-UHFFFAOYSA-N
XLogP0.82
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.82
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

2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77052461
2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76988819
2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 112747021
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928839
2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76929222
2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927441
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927504
2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927493
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
CID 76927443

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide (CID 77045063) is 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is SAWSEWBLAJOURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-5-6-13(7-9(11)12-14)17(15,16)8-10(2,3)4/h14H,5-8H2,1-4H3,(H2,11,12).
What are the key properties of 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 265.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77045063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).