3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

C8H18N4O3S — CID 104978359

IUPAC3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H18N4O3S/c1-6(8(9)10-13)5-12(2)16(14,15)11-7-3-4-7/h6-7,11,13H,3-5H2,1-2H3,(H2,9,10)
InChIKeyMTUKFQRHEXNWAK-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.70
Rot. Bonds6

About 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 104978359) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID104978359
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H18N4O3S/c1-6(8(9)10-13)5-12(2)16(14,15)11-7-3-4-7/h6-7,11,13H,3-5H2,1-2H3,(H2,9,10)
InChIKeyMTUKFQRHEXNWAK-UHFFFAOYSA-N
XLogP-0.70
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.70
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 104978359) is 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)S(=O)(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is MTUKFQRHEXNWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-6(8(9)10-13)5-12(2)16(14,15)11-7-3-4-7/h6-7,11,13H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 104978359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).