4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide

C10H22N4O3S — CID 76953279

IUPAC4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNS(=O)(=O)N1CCCCCC1)=NO
InChIInChI=1S/C10H22N4O3S/c11-10(13-15)6-5-7-12-18(16,17)14-8-3-1-2-4-9-14/h12,15H,1-9H2,(H2,11,13)
InChIKeySKGLCONQSWXKAO-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.22
Rot. Bonds6

About 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide

4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide (PubChem CID 76953279) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide
PubChem CID76953279
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNS(=O)(=O)N1CCCCCC1)=NO
InChIInChI=1S/C10H22N4O3S/c11-10(13-15)6-5-7-12-18(16,17)14-8-3-1-2-4-9-14/h12,15H,1-9H2,(H2,11,13)
InChIKeySKGLCONQSWXKAO-UHFFFAOYSA-N
XLogP0.22
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 55102000
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
CID 28783630
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
2-(azepan-1-ylsulfonylamino)acetamide
CID 60713634
N-(3-cyanopropyl)azepane-1-sulfonamide
CID 62665686
N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide
CID 82842584
methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate
CID 43423056
N'-hydroxy-2,2-dimethyl-3-(pyrrolidin-1-ylsulfonylamino)propanimidamide
CID 104873859

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide (CID 76953279) is 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide is NC(CCCNS(=O)(=O)N1CCCCCC1)=NO.
What is the InChIKey of 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide?
The InChIKey is SKGLCONQSWXKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c11-10(13-15)6-5-7-12-18(16,17)14-8-3-1-2-4-9-14/h12,15H,1-9H2,(H2,11,13).
What are the key properties of 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide?
4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide has a molecular weight of 278.38 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76953279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).