N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane

C11H26N2O5S — CID 142083509

IUPACN-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane
SMILESCCNC(C)=O.COCCNC(C)=O.CS(C)(=O)=O
InChIInChI=1S/C5H11NO2.C4H9NO.C2H6O2S/c1-5(7)6-3-4-8-2;1-3-5-4(2)6;1-5(2,3)4/h3-4H2,1-2H3,(H,6,7);3H2,1-2H3,(H,5,6);1-2H3
InChIKeySNCCTXMLKAWKLY-UHFFFAOYSA-N
MW298.40 g/mol
LogP-0.43
Rot. Bonds4

About N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane

N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane (PubChem CID 142083509) has the molecular formula C11H26N2O5S and a molecular weight of 298.40 g/mol. Its IUPAC name is N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane.

Molecular Properties

Compound NameN-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane
PubChem CID142083509
Molecular FormulaC11H26N2O5S
Molecular Weight298.40 g/mol
Exact Mass298.16
IUPAC NameN-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane
SMILESCCNC(C)=O.COCCNC(C)=O.CS(C)(=O)=O
InChIInChI=1S/C5H11NO2.C4H9NO.C2H6O2S/c1-5(7)6-3-4-8-2;1-3-5-4(2)6;1-5(2,3)4/h3-4H2,1-2H3,(H,6,7);3H2,1-2H3,(H,5,6);1-2H3
InChIKeySNCCTXMLKAWKLY-UHFFFAOYSA-N
XLogP-0.43
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 5-0.43
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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Related Compounds

2-Acetamidoethyl methanesulfonate
CID 87561700
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
CID 155189257
N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 159189227
2-[2-(methylamino)ethoxy]-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359453
2-Acetamidoethyl 2-acetamido-1-sulfanylethanesulfonate
CID 175461081
N-(2-methoxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464363
3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide
CID 47175119
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide
CID 61150789
2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide
CID 61487575
N-(2-methoxyethyl)-2-(2-methylsulfonylethylamino)acetamide
CID 61487766
N-[2-(2-aminoethoxy)ethyl]-2-methyl-2-methylsulfonylpropanamide
CID 64012857
N-[2-(2-aminoethoxy)ethyl]-2-methylsulfonylacetamide
CID 64013057

Frequently Asked Questions

What is the IUPAC name of N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane?
The IUPAC name of N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane (CID 142083509) is N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane.
What is the SMILES notation for N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane?
The canonical SMILES for N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane is CCNC(C)=O.COCCNC(C)=O.CS(C)(=O)=O.
What is the InChIKey of N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane?
The InChIKey is SNCCTXMLKAWKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H9NO.C2H6O2S/c1-5(7)6-3-4-8-2;1-3-5-4(2)6;1-5(2,3)4/h3-4H2,1-2H3,(H,6,7);3H2,1-2H3,(H,5,6);1-2H3.
What are the key properties of N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane?
N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane has a molecular weight of 298.40 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane is sourced from PubChem (CID 142083509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).