2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide

C9H18N2O4S — CID 152749693

IUPAC2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(C(=NO)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H18N2O4S/c1-9(2,3)6(7(12)10-4)8(11-13)16(5,14)15/h6,13H,1-5H3,(H,10,12)
InChIKeyCFKSOJCUYPOBQJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.23
Rot. Bonds2

About 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide

2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide (PubChem CID 152749693) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide
PubChem CID152749693
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(C(=NO)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H18N2O4S/c1-9(2,3)6(7(12)10-4)8(11-13)16(5,14)15/h6,13H,1-5H3,(H,10,12)
InChIKeyCFKSOJCUYPOBQJ-UHFFFAOYSA-N
XLogP0.23
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide?
The IUPAC name of 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide (CID 152749693) is 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide is CNC(=O)C(C(=NO)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide?
The InChIKey is CFKSOJCUYPOBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-9(2,3)6(7(12)10-4)8(11-13)16(5,14)15/h6,13H,1-5H3,(H,10,12).
What are the key properties of 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide?
2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide has a molecular weight of 250.32 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 152749693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).