N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide

C9H20N4O3S — CID 77038338

IUPACN'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide
SMILESCC(C)C(NS(=O)(=O)N1CCCC1)C(N)=NO
InChIInChI=1S/C9H20N4O3S/c1-7(2)8(9(10)11-14)12-17(15,16)13-5-3-4-6-13/h7-8,12,14H,3-6H2,1-2H3,(H2,10,11)
InChIKeyXCDQRCCARJQYNJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.31
Rot. Bonds5

About N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide

N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide (PubChem CID 77038338) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide
PubChem CID77038338
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC NameN'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide
SMILESCC(C)C(NS(=O)(=O)N1CCCC1)C(N)=NO
InChIInChI=1S/C9H20N4O3S/c1-7(2)8(9(10)11-14)12-17(15,16)13-5-3-4-6-13/h7-8,12,14H,3-6H2,1-2H3,(H2,10,11)
InChIKeyXCDQRCCARJQYNJ-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
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

3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988569
N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 54991745
N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 54996580
2-(Pyrrolidin-1-ylsulfonylamino)butanimidamide
CID 64406347
3-Methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide
CID 64426617
3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204825
N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 76204893
N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 76205471
N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 76917203
N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 76928392
N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide
CID 76934832
N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide
CID 76947956

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide (CID 77038338) is N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide is CC(C)C(NS(=O)(=O)N1CCCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide?
The InChIKey is XCDQRCCARJQYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-7(2)8(9(10)11-14)12-17(15,16)13-5-3-4-6-13/h7-8,12,14H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide?
N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)butanimidamide is sourced from PubChem (CID 77038338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).