2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide

C10H15FN4O3S — CID 77038138

IUPAC2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H15FN4O3S/c1-7(2)15(6-10(12)14-16)19(17,18)9-3-8(11)4-13-5-9/h3-5,7,16H,6H2,1-2H3,(H2,12,14)
InChIKeyGOPRTTUAEQIJOV-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.37
Rot. Bonds5

About 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide

2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide (PubChem CID 77038138) has the molecular formula C10H15FN4O3S and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide
PubChem CID77038138
Molecular FormulaC10H15FN4O3S
Molecular Weight290.32 g/mol
Exact Mass290.08
IUPAC Name2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H15FN4O3S/c1-7(2)15(6-10(12)14-16)19(17,18)9-3-8(11)4-13-5-9/h3-5,7,16H,6H2,1-2H3,(H2,12,14)
InChIKeyGOPRTTUAEQIJOV-UHFFFAOYSA-N
XLogP0.37
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.37
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 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide (CID 77038138) is 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide is CC(C)N(CC(N)=NO)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
The InChIKey is GOPRTTUAEQIJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O3S/c1-7(2)15(6-10(12)14-16)19(17,18)9-3-8(11)4-13-5-9/h3-5,7,16H,6H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide has a molecular weight of 290.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77038138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).