N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide

C9H20N2O4S — CID 61487332

IUPACN-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide
SMILESCOCCNC(=O)CNCCCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-15-6-5-11-9(12)8-10-4-3-7-16(2,13)14/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyYMIVAEPVDUANBW-UHFFFAOYSA-N
MW252.34 g/mol
LogP-1.23
Rot. Bonds9

About N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide

N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide (PubChem CID 61487332) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide
PubChem CID61487332
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide
SMILESCOCCNC(=O)CNCCCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-15-6-5-11-9(12)8-10-4-3-7-16(2,13)14/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyYMIVAEPVDUANBW-UHFFFAOYSA-N
XLogP-1.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide (CID 61487332) is N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide is COCCNC(=O)CNCCCS(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide?
The InChIKey is YMIVAEPVDUANBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-15-6-5-11-9(12)8-10-4-3-7-16(2,13)14/h10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide?
N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide has a molecular weight of 252.34 g/mol, XLogP of -1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide is sourced from PubChem (CID 61487332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).