2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide

C10H24N4O3S — CID 77028097

IUPAC2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide
SMILESCCC(NCCCN(CC)S(C)(=O)=O)C(N)=NO
InChIInChI=1S/C10H24N4O3S/c1-4-9(10(11)13-15)12-7-6-8-14(5-2)18(3,16)17/h9,12,15H,4-8H2,1-3H3,(H2,11,13)
InChIKeyGMUCYQSKISYKFK-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.23
Rot. Bonds9

About 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide

2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide (PubChem CID 77028097) has the molecular formula C10H24N4O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide
PubChem CID77028097
Molecular FormulaC10H24N4O3S
Molecular Weight280.39 g/mol
Exact Mass280.16
IUPAC Name2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide
SMILESCCC(NCCCN(CC)S(C)(=O)=O)C(N)=NO
InChIInChI=1S/C10H24N4O3S/c1-4-9(10(11)13-15)12-7-6-8-14(5-2)18(3,16)17/h9,12,15H,4-8H2,1-3H3,(H2,11,13)
InChIKeyGMUCYQSKISYKFK-UHFFFAOYSA-N
XLogP-0.23
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide (CID 77028097) is 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide is CCC(NCCCN(CC)S(C)(=O)=O)C(N)=NO.
What is the InChIKey of 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide?
The InChIKey is GMUCYQSKISYKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3S/c1-4-9(10(11)13-15)12-7-6-8-14(5-2)18(3,16)17/h9,12,15H,4-8H2,1-3H3,(H2,11,13).
What are the key properties of 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide?
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide has a molecular weight of 280.39 g/mol, XLogP of -0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77028097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).