2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide

C9H20N4O3S — CID 77037951

IUPAC2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide
SMILESCN(C)S(=O)(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C9H20N4O3S/c1-12(2)17(15,16)13(7-9(10)11-14)8-5-3-4-6-8/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyXKILMAHASUSTLU-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.22
Rot. Bonds5

About 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77037951) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide
PubChem CID77037951
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide
SMILESCN(C)S(=O)(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C9H20N4O3S/c1-12(2)17(15,16)13(7-9(10)11-14)8-5-3-4-6-8/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyXKILMAHASUSTLU-UHFFFAOYSA-N
XLogP-0.22
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.22
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide (CID 77037951) is 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide is CN(C)S(=O)(=O)N(CC(N)=NO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is XKILMAHASUSTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-12(2)17(15,16)13(7-9(10)11-14)8-5-3-4-6-8/h8,14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77037951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).