3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

C10H23N3O3S — CID 54998537

IUPAC3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCCS(=O)(=O)CCN(CC/C(N)=N/O)C(C)C
InChIInChI=1S/C10H23N3O3S/c1-4-17(15,16)8-7-13(9(2)3)6-5-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyPHQHGGOSZLCAGJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.27
Rot. Bonds8

About 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 54998537) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
PubChem CID54998537
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCCS(=O)(=O)CCN(CC/C(N)=N/O)C(C)C
InChIInChI=1S/C10H23N3O3S/c1-4-17(15,16)8-7-13(9(2)3)6-5-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyPHQHGGOSZLCAGJ-UHFFFAOYSA-N
XLogP0.27
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.27
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (CID 54998537) is 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is CCS(=O)(=O)CCN(CC/C(N)=N/O)C(C)C.
What is the InChIKey of 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is PHQHGGOSZLCAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-4-17(15,16)8-7-13(9(2)3)6-5-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 265.38 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54998537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).