2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide

C9H22N4O3S — CID 104978277

IUPAC2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide
SMILESCCCC(NS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C9H22N4O3S/c1-5-6-7(8(10)11-14)12-17(15,16)13-9(2,3)4/h7,12-14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyJNKJSUCSYCMKOJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.12
Rot. Bonds6

About 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide

2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide (PubChem CID 104978277) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide
PubChem CID104978277
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide
SMILESCCCC(NS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C9H22N4O3S/c1-5-6-7(8(10)11-14)12-17(15,16)13-9(2,3)4/h7,12-14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyJNKJSUCSYCMKOJ-UHFFFAOYSA-N
XLogP0.12
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.12
H-Bond Donors ≤ 54
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

N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947254
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453675
3-(diethylsulfamoylamino)-N'-hydroxypentanimidamide
CID 76947700
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 76947716
3-(dimethylsulfamoylamino)-N'-hydroxypentanimidamide
CID 76947941
N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 76953165
2-(tert-butylsulfonylamino)-N'-hydroxypentanimidamide
CID 77017207
N'-hydroxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 77036891
N'-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 77038575

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide (CID 104978277) is 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide is CCCC(NS(=O)(=O)NC(C)(C)C)C(N)=NO.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide?
The InChIKey is JNKJSUCSYCMKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-5-6-7(8(10)11-14)12-17(15,16)13-9(2,3)4/h7,12-14H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide?
2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide has a molecular weight of 266.37 g/mol, XLogP of 0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 104978277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).