N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide

C8H19N3O3S — CID 77025369

IUPACN'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCCS(C)(=O)=O
InChIInChI=1S/C8H19N3O3S/c1-3-7(6-8(9)11-12)10-4-5-15(2,13)14/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyXOKWQPAEPDXRNZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.46
Rot. Bonds7

About N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide

N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide (PubChem CID 77025369) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide
PubChem CID77025369
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCCS(C)(=O)=O
InChIInChI=1S/C8H19N3O3S/c1-3-7(6-8(9)11-12)10-4-5-15(2,13)14/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyXOKWQPAEPDXRNZ-UHFFFAOYSA-N
XLogP-0.46
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
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-methylsulfonylethyl)pentan-3-amine
CID 60711918
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932
N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
CID 106034084
N'-hydroxy-3-(7-methyloctylamino)pentanimidamide
CID 114004141
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide
CID 106277761

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide (CID 77025369) is N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide is CCC(CC(N)=NO)NCCS(C)(=O)=O.
What is the InChIKey of N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide?
The InChIKey is XOKWQPAEPDXRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-3-7(6-8(9)11-12)10-4-5-15(2,13)14/h7,10,12H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide?
N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide has a molecular weight of 237.32 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide is sourced from PubChem (CID 77025369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).