3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide

C9H22N4O3S — CID 54992758

IUPAC3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H22N4O3S/c1-5-13(7-6-9(10)11-14)17(15,16)12(4)8(2)3/h8,14H,5-7H2,1-4H3,(H2,10,11)
InChIKeyNJDVXWOTMPFIOP-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.03
Rot. Bonds7

About 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide

3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide (PubChem CID 54992758) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
PubChem CID54992758
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H22N4O3S/c1-5-13(7-6-9(10)11-14)17(15,16)12(4)8(2)3/h8,14H,5-7H2,1-4H3,(H2,10,11)
InChIKeyNJDVXWOTMPFIOP-UHFFFAOYSA-N
XLogP0.03
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide (CID 54992758) is 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide is CCN(CC/C(N)=N/O)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide?
The InChIKey is NJDVXWOTMPFIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-5-13(7-6-9(10)11-14)17(15,16)12(4)8(2)3/h8,14H,5-7H2,1-4H3,(H2,10,11).
What are the key properties of 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide?
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide has a molecular weight of 266.37 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54992758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).