3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C10H23N3O3S — CID 54988173

IUPAC3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCCCS(=O)(=O)N(CC)CC(C)/C(N)=N/O
InChIInChI=1S/C10H23N3O3S/c1-4-6-7-17(15,16)13(5-2)8-9(3)10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyKLAHYYNEXIASNZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.82
Rot. Bonds8

About 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54988173) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54988173
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCCCS(=O)(=O)N(CC)CC(C)/C(N)=N/O
InChIInChI=1S/C10H23N3O3S/c1-4-6-7-17(15,16)13(5-2)8-9(3)10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyKLAHYYNEXIASNZ-UHFFFAOYSA-N
XLogP0.82
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.82
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 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 54988173) is 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCCCS(=O)(=O)N(CC)CC(C)/C(N)=N/O.
What is the InChIKey of 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is KLAHYYNEXIASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-4-6-7-17(15,16)13(5-2)8-9(3)10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 265.38 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54988173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).