3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide

C8H15N5O3S — CID 77021142

IUPAC3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCCc1ncc(S(=O)(=O)NCCC(N)=NO)[nH]1
InChIInChI=1S/C8H15N5O3S/c1-2-7-10-5-8(12-7)17(15,16)11-4-3-6(9)13-14/h5,11,14H,2-4H2,1H3,(H2,9,13)(H,10,12)
InChIKeyFPOVZVBWISTKDW-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.61
Rot. Bonds6

About 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide

3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide (PubChem CID 77021142) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
PubChem CID77021142
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC Name3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCCc1ncc(S(=O)(=O)NCCC(N)=NO)[nH]1
InChIInChI=1S/C8H15N5O3S/c1-2-7-10-5-8(12-7)17(15,16)11-4-3-6(9)13-14/h5,11,14H,2-4H2,1H3,(H2,9,13)(H,10,12)
InChIKeyFPOVZVBWISTKDW-UHFFFAOYSA-N
XLogP-0.61
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
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-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide (CID 77021142) is 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide is CCc1ncc(S(=O)(=O)NCCC(N)=NO)[nH]1.
What is the InChIKey of 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The InChIKey is FPOVZVBWISTKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-2-7-10-5-8(12-7)17(15,16)11-4-3-6(9)13-14/h5,11,14H,2-4H2,1H3,(H2,9,13)(H,10,12).
What are the key properties of 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide?
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide has a molecular weight of 261.31 g/mol, XLogP of -0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77021142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).