N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide

C10H22N4O3S — CID 54996580

IUPACN'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
SMILESCC(C)N(CC/C(N)=N/O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N4O3S/c1-9(2)14(8-5-10(11)12-15)18(16,17)13-6-3-4-7-13/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyGJBHCQNMMGJFCG-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.17
Rot. Bonds6

About N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide

N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide (PubChem CID 54996580) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
PubChem CID54996580
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
SMILESCC(C)N(CC/C(N)=N/O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N4O3S/c1-9(2)14(8-5-10(11)12-15)18(16,17)13-6-3-4-7-13/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyGJBHCQNMMGJFCG-UHFFFAOYSA-N
XLogP0.17
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
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

3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988569
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988818
N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 54991745
N'-hydroxy-2-methyl-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 54991892
3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 54992418
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54992758
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 54993144
3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996531
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide
CID 54996963
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
3-[cyclopropyl(diethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 54997598
3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 54997647

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide (CID 54996580) is N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide is CC(C)N(CC/C(N)=N/O)S(=O)(=O)N1CCCC1.
What is the InChIKey of N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The InChIKey is GJBHCQNMMGJFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-9(2)14(8-5-10(11)12-15)18(16,17)13-6-3-4-7-13/h9,15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide has a molecular weight of 278.38 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 54996580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).