2-ethyl-N-(3-sulfamoylpropyl)butanamide

C9H20N2O3S — CID 61132731

IUPAC2-ethyl-N-(3-sulfamoylpropyl)butanamide
SMILESCCC(CC)C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-3-8(4-2)9(12)11-6-5-7-15(10,13)14/h8H,3-7H2,1-2H3,(H,11,12)(H2,10,13,14)
InChIKeyHVAFHNGIYSNMHL-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.22
Rot. Bonds7

About 2-ethyl-N-(3-sulfamoylpropyl)butanamide

2-ethyl-N-(3-sulfamoylpropyl)butanamide (PubChem CID 61132731) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-ethyl-N-(3-sulfamoylpropyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-sulfamoylpropyl)butanamide
PubChem CID61132731
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-ethyl-N-(3-sulfamoylpropyl)butanamide
SMILESCCC(CC)C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-3-8(4-2)9(12)11-6-5-7-15(10,13)14/h8H,3-7H2,1-2H3,(H,11,12)(H2,10,13,14)
InChIKeyHVAFHNGIYSNMHL-UHFFFAOYSA-N
XLogP0.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
N-[3-(Dipropylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 16034200
N-{3-[Butyl(methyl)amino]propyl}-1-(propane-1-sulfonyl)piperidine-4-carboxamide
CID 16034251
N-methyl-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081282
1-(ethylsulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 4580597
N-{3-[Butyl(methyl)amino]propyl}-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 16034201
N-(2-methylsulfonylsulfanylethyl)-2-propylpentanamide
CID 44453388
Ctk1C7007
CID 10243852
1-(methylsulfonyl)-N-propylpiperidine-4-carboxamide
CID 3152848
N-butyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3469525

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-sulfamoylpropyl)butanamide?
The IUPAC name of 2-ethyl-N-(3-sulfamoylpropyl)butanamide (CID 61132731) is 2-ethyl-N-(3-sulfamoylpropyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(3-sulfamoylpropyl)butanamide?
The canonical SMILES for 2-ethyl-N-(3-sulfamoylpropyl)butanamide is CCC(CC)C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 2-ethyl-N-(3-sulfamoylpropyl)butanamide?
The InChIKey is HVAFHNGIYSNMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-8(4-2)9(12)11-6-5-7-15(10,13)14/h8H,3-7H2,1-2H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-ethyl-N-(3-sulfamoylpropyl)butanamide?
2-ethyl-N-(3-sulfamoylpropyl)butanamide has a molecular weight of 236.34 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-sulfamoylpropyl)butanamide is sourced from PubChem (CID 61132731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).