3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide

C11H24N4O3S — CID 76947926

IUPAC3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N4O3S/c1-2-10(9-11(12)13-16)14-19(17,18)15-7-5-3-4-6-8-15/h10,14,16H,2-9H2,1H3,(H2,12,13)
InChIKeyIURGWAYOMIEQPM-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.61
Rot. Bonds6

About 3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide

3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide (PubChem CID 76947926) has the molecular formula C11H24N4O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide
PubChem CID76947926
Molecular FormulaC11H24N4O3S
Molecular Weight292.40 g/mol
Exact Mass292.16
IUPAC Name3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N4O3S/c1-2-10(9-11(12)13-16)14-19(17,18)15-7-5-3-4-6-8-15/h10,14,16H,2-9H2,1H3,(H2,12,13)
InChIKeyIURGWAYOMIEQPM-UHFFFAOYSA-N
XLogP0.61
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.61
H-Bond Donors ≤ 53
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-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide (CID 76947926) is 3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide?
The InChIKey is IURGWAYOMIEQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-2-10(9-11(12)13-16)14-19(17,18)15-7-5-3-4-6-8-15/h10,14,16H,2-9H2,1H3,(H2,12,13).
What are the key properties of 3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide?
3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide has a molecular weight of 292.40 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 76947926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).