3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C10H23N3O4S — CID 55233817

IUPAC3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CC/C(N)=N/O)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23N3O4S/c1-10(2,3)18(15,16)13(7-8-17-4)6-5-9(11)12-14/h14H,5-8H2,1-4H3,(H2,11,12)
InChIKeyIJHKKCWFHHKHHU-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.20
Rot. Bonds7

About 3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 55233817) has the molecular formula C10H23N3O4S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID55233817
Molecular FormulaC10H23N3O4S
Molecular Weight281.38 g/mol
Exact Mass281.14
IUPAC Name3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CC/C(N)=N/O)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23N3O4S/c1-10(2,3)18(15,16)13(7-8-17-4)6-5-9(11)12-14/h14H,5-8H2,1-4H3,(H2,11,12)
InChIKeyIJHKKCWFHHKHHU-UHFFFAOYSA-N
XLogP0.20
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.20
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-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 55233817) is 3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CC/C(N)=N/O)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is IJHKKCWFHHKHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O4S/c1-10(2,3)18(15,16)13(7-8-17-4)6-5-9(11)12-14/h14H,5-8H2,1-4H3,(H2,11,12).
What are the key properties of 3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 281.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butylsulfonyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 55233817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).