N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide

C9H20N2O5S — CID 79675663

IUPACN-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NOCCOC
InChIInChI=1S/C9H20N2O5S/c1-4-7-17(13,14)11-8(2)9(12)10-16-6-5-15-3/h8,11H,4-7H2,1-3H3,(H,10,12)
InChIKeyWROAJEFCHQNWMS-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.60
Rot. Bonds9

About N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide

N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide (PubChem CID 79675663) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
PubChem CID79675663
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC NameN-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NOCCOC
InChIInChI=1S/C9H20N2O5S/c1-4-7-17(13,14)11-8(2)9(12)10-16-6-5-15-3/h8,11H,4-7H2,1-3H3,(H,10,12)
InChIKeyWROAJEFCHQNWMS-UHFFFAOYSA-N
XLogP-0.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide
CID 103877484
N-cyclopentyloxy-2-(propylsulfonylamino)propanamide
CID 83206638
N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
2-(carbamoylamino)-N-(2-methoxyethoxy)propanamide
CID 79676152
N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
CID 83032343
ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465
3-methyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43354101
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propylsulfonylamino)propanamide
CID 55082542
(2S)-2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoic acid
CID 107833554
2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid
CID 43465477

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide?
The IUPAC name of N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide (CID 79675663) is N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide?
The canonical SMILES for N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide is CCCS(=O)(=O)NC(C)C(=O)NOCCOC.
What is the InChIKey of N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide?
The InChIKey is WROAJEFCHQNWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-4-7-17(13,14)11-8(2)9(12)10-16-6-5-15-3/h8,11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide?
N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide has a molecular weight of 268.33 g/mol, XLogP of -0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide is sourced from PubChem (CID 79675663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).