3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide

C7H16N2O4S — CID 47175119

IUPAC3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-13-6-5-8-7(10)3-4-9-14(2,11)12/h9H,3-6H2,1-2H3,(H,8,10)
InChIKeyRWZFHAKTKVRGBY-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.31
Rot. Bonds7

About 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide

3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide (PubChem CID 47175119) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide
PubChem CID47175119
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-13-6-5-8-7(10)3-4-9-14(2,11)12/h9H,3-6H2,1-2H3,(H,8,10)
InChIKeyRWZFHAKTKVRGBY-UHFFFAOYSA-N
XLogP-1.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide (CID 47175119) is 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide?
The InChIKey is RWZFHAKTKVRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-13-6-5-8-7(10)3-4-9-14(2,11)12/h9H,3-6H2,1-2H3,(H,8,10).
What are the key properties of 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide?
3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide has a molecular weight of 224.28 g/mol, XLogP of -1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 47175119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).