2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide

C11H23N3O3S — CID 112747021

IUPAC2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)CCC1CCC1
InChIInChI=1S/C11H23N3O3S/c1-2-7-14(9-11(12)13-15)18(16,17)8-6-10-4-3-5-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyLVEQNDAEVVXACU-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.96
Rot. Bonds8

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

2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide (PubChem CID 112747021) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
PubChem CID112747021
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)CCC1CCC1
InChIInChI=1S/C11H23N3O3S/c1-2-7-14(9-11(12)13-15)18(16,17)8-6-10-4-3-5-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyLVEQNDAEVVXACU-UHFFFAOYSA-N
XLogP0.96
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
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

2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77052461
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063
2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76988819
2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
CID 112747022
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 105361603
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide
CID 112746946
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77037895
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 77067847
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide (CID 112747021) is 2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)CCC1CCC1.
What is the InChIKey of 2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is LVEQNDAEVVXACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-2-7-14(9-11(12)13-15)18(16,17)8-6-10-4-3-5-10/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of 2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 277.39 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 2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 112747021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).