2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide

C10H22N4O4S — CID 106341719

IUPAC2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide
SMILESCCC(CC)(C(=O)NCCS(=O)(=O)NC)C(N)=NO
InChIInChI=1S/C10H22N4O4S/c1-4-10(5-2,8(11)14-16)9(15)13-6-7-19(17,18)12-3/h12,16H,4-7H2,1-3H3,(H2,11,14)(H,13,15)
InChIKeyDRPYDWQEJAFTKQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP-0.80
Rot. Bonds8

About 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide (PubChem CID 106341719) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide
PubChem CID106341719
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide
SMILESCCC(CC)(C(=O)NCCS(=O)(=O)NC)C(N)=NO
InChIInChI=1S/C10H22N4O4S/c1-4-10(5-2,8(11)14-16)9(15)13-6-7-19(17,18)12-3/h12,16H,4-7H2,1-3H3,(H2,11,14)(H,13,15)
InChIKeyDRPYDWQEJAFTKQ-UHFFFAOYSA-N
XLogP-0.80
TPSA133.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
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'}

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Related Compounds

N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920697
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
2-methyl-2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336691
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 76928560
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350525
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106326721
2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
CID 83023535
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 76988657
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methylpentan-3-yl)butanamide
CID 76921401
N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 104864369
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 77022861

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide?
The IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide (CID 106341719) is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide is CCC(CC)(C(=O)NCCS(=O)(=O)NC)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide?
The InChIKey is DRPYDWQEJAFTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O4S/c1-4-10(5-2,8(11)14-16)9(15)13-6-7-19(17,18)12-3/h12,16H,4-7H2,1-3H3,(H2,11,14)(H,13,15).
What are the key properties of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide?
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide has a molecular weight of 294.38 g/mol, XLogP of -0.80, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide is sourced from PubChem (CID 106341719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).