3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide

C6H15N3O3S — CID 76910449

IUPAC3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C6H15N3O3S/c1-3-9(13(2,11)12)5-4-6(7)8-10/h10H,3-5H2,1-2H3,(H2,7,8)
InChIKeySDOALBJNUQZUDZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.60
Rot. Bonds5

About 3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide

3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76910449) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide
PubChem CID76910449
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC Name3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C6H15N3O3S/c1-3-9(13(2,11)12)5-4-6(7)8-10/h10H,3-5H2,1-2H3,(H2,7,8)
InChIKeySDOALBJNUQZUDZ-UHFFFAOYSA-N
XLogP-0.60
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.60
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-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide (CID 76910449) is 3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)S(C)(=O)=O.
What is the InChIKey of 3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is SDOALBJNUQZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-3-9(13(2,11)12)5-4-6(7)8-10/h10H,3-5H2,1-2H3,(H2,7,8).
What are the key properties of 3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide?
3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 209.27 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76910449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).