2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride

C11H25ClN2O4S — CID 119786618

IUPAC2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)C(C)C(C)S(C)(=O)=O.Cl
InChIInChI=1S/C11H24N2O4S.ClH/c1-9(10(2)18(5,15)16)13(3)11(14)8-12-6-7-17-4;/h9-10,12H,6-8H2,1-5H3;1H
InChIKeyWOCAEYCSWNQBGZ-UHFFFAOYSA-N
MW316.85 g/mol
LogP-0.08
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride

2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119786618) has the molecular formula C11H25ClN2O4S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride
PubChem CID119786618
Molecular FormulaC11H25ClN2O4S
Molecular Weight316.85 g/mol
Exact Mass316.12
IUPAC Name2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)C(C)C(C)S(C)(=O)=O.Cl
InChIInChI=1S/C11H24N2O4S.ClH/c1-9(10(2)18(5,15)16)13(3)11(14)8-12-6-7-17-4;/h9-10,12H,6-8H2,1-5H3;1H
InChIKeyWOCAEYCSWNQBGZ-UHFFFAOYSA-N
XLogP-0.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119786374
2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 119704976
2-(2-methoxyethylamino)-N-methyl-N-[1-(1-methylcyclopropyl)ethyl]acetamide
CID 119820449
N-ethyl-2-(2-methoxyethylamino)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732327
N-ethyl-2-(2-methoxyethylamino)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 119785626
N-cyclopropyl-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride
CID 119728071
2-(2-methoxyethylamino)-N-propan-2-yl-N-propylacetamide
CID 79280705
methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
CID 79282082
N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 115740129
N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79281144
2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid
CID 79281112
2-(2-methoxyethylamino)-N-methylsulfonylacetamide
CID 103287494

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride (CID 119786618) is 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride is COCCNCC(=O)N(C)C(C)C(C)S(C)(=O)=O.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is WOCAEYCSWNQBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S.ClH/c1-9(10(2)18(5,15)16)13(3)11(14)8-12-6-7-17-4;/h9-10,12H,6-8H2,1-5H3;1H.
What are the key properties of 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of -0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119786618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).