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

C9H20N4O3S — CID 55102000

IUPAC3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide
SMILESN/C(CCNS(=O)(=O)N1CCCCCC1)=N/O
InChIInChI=1S/C9H20N4O3S/c10-9(12-14)5-6-11-17(15,16)13-7-3-1-2-4-8-13/h11,14H,1-8H2,(H2,10,12)
InChIKeyUEYKVHSDNXFNIJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.17
Rot. Bonds5

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

3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide (PubChem CID 55102000) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide
PubChem CID55102000
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide
SMILESN/C(CCNS(=O)(=O)N1CCCCCC1)=N/O
InChIInChI=1S/C9H20N4O3S/c10-9(12-14)5-6-11-17(15,16)13-7-3-1-2-4-8-13/h11,14H,1-8H2,(H2,10,12)
InChIKeyUEYKVHSDNXFNIJ-UHFFFAOYSA-N
XLogP-0.17
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.17
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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Related Compounds

4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide
CID 76953279
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
2-(azepan-1-ylsulfonylamino)acetamide
CID 60713634
N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide
CID 79152311
N'-hydroxy-2,2-dimethyl-3-(pyrrolidin-1-ylsulfonylamino)propanimidamide
CID 104873859
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
3-[ethyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 54993145
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride
CID 81357870

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide (CID 55102000) is 3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide is N/C(CCNS(=O)(=O)N1CCCCCC1)=N/O.
What is the InChIKey of 3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide?
The InChIKey is UEYKVHSDNXFNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c10-9(12-14)5-6-11-17(15,16)13-7-3-1-2-4-8-13/h11,14H,1-8H2,(H2,10,12).
What are the key properties of 3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide?
3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.17, 5 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'-hydroxypropanimidamide is sourced from PubChem (CID 55102000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).