3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide

C9H18N2O4S — CID 18722029

IUPAC3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide
SMILESCCCC(NC(=O)C(=O)C(C)C)S(N)(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-4-5-7(16(10,14)15)11-9(13)8(12)6(2)3/h6-7H,4-5H2,1-3H3,(H,11,13)(H2,10,14,15)
InChIKeyJWHXTXMKZFIWCO-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.26
Rot. Bonds6

About 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide

3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide (PubChem CID 18722029) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide
PubChem CID18722029
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide
SMILESCCCC(NC(=O)C(=O)C(C)C)S(N)(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-4-5-7(16(10,14)15)11-9(13)8(12)6(2)3/h6-7H,4-5H2,1-3H3,(H,11,13)(H2,10,14,15)
InChIKeyJWHXTXMKZFIWCO-UHFFFAOYSA-N
XLogP-0.26
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide?
The IUPAC name of 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide (CID 18722029) is 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide?
The canonical SMILES for 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide is CCCC(NC(=O)C(=O)C(C)C)S(N)(=O)=O.
What is the InChIKey of 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide?
The InChIKey is JWHXTXMKZFIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-4-5-7(16(10,14)15)11-9(13)8(12)6(2)3/h6-7H,4-5H2,1-3H3,(H,11,13)(H2,10,14,15).
What are the key properties of 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide?
3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide has a molecular weight of 250.32 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(1-sulfamoylbutyl)butanamide is sourced from PubChem (CID 18722029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).