N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride

C11H25ClN2O4S — CID 119786374

IUPACN-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)CNCCOC.Cl
InChIInChI=1S/C11H24N2O4S.ClH/c1-5-18(15,16)9-10(2)13(3)11(14)8-12-6-7-17-4;/h10,12H,5-9H2,1-4H3;1H
InChIKeyKCFDPWYVAVSZPR-UHFFFAOYSA-N
MW316.85 g/mol
LogP-0.07
Rot. Bonds9

About N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride

N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride (PubChem CID 119786374) has the molecular formula C11H25ClN2O4S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
PubChem CID119786374
Molecular FormulaC11H25ClN2O4S
Molecular Weight316.85 g/mol
Exact Mass316.12
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)CNCCOC.Cl
InChIInChI=1S/C11H24N2O4S.ClH/c1-5-18(15,16)9-10(2)13(3)11(14)8-12-6-7-17-4;/h10,12H,5-9H2,1-4H3;1H
InChIKeyKCFDPWYVAVSZPR-UHFFFAOYSA-N
XLogP-0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 5-0.07
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

2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride
CID 119786618
N-ethyl-2-(2-methoxyethylamino)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 119785626
2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 119704976
2-(2-methoxyethylamino)-N-propan-2-yl-N-propylacetamide
CID 79280705
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-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79281144
N-cyclopropyl-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride
CID 119728071
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119786350
N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 115740129
methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
CID 79282082
N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79287394

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride (CID 119786374) is N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride is CCS(=O)(=O)CC(C)N(C)C(=O)CNCCOC.Cl.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The InChIKey is KCFDPWYVAVSZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S.ClH/c1-5-18(15,16)9-10(2)13(3)11(14)8-12-6-7-17-4;/h10,12H,5-9H2,1-4H3;1H.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of -0.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119786374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).