N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide

C11H24N2O4S — CID 155455470

IUPACN,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide
SMILESCNCCOCCCS(=O)(=O)N(C)C(=O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-10(2)11(14)13(4)18(15,16)9-5-7-17-8-6-12-3/h10,12H,5-9H2,1-4H3
InChIKeyZTVWXHZUDCQIOO-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.06
Rot. Bonds9

About N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide

N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide (PubChem CID 155455470) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide
PubChem CID155455470
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC NameN,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide
SMILESCNCCOCCCS(=O)(=O)N(C)C(=O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-10(2)11(14)13(4)18(15,16)9-5-7-17-8-6-12-3/h10,12H,5-9H2,1-4H3
InChIKeyZTVWXHZUDCQIOO-UHFFFAOYSA-N
XLogP0.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.06
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

3-(propanoylsulfamoyl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 57740859
N-[2-(2-ethoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
CID 57740904
N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
CID 59783181
N-[2-(2-ethoxyethoxy)ethyl]-3-(methylsulfamoyl)propanamide
CID 90428996
3-[2-(2,2-Dimethylpropanoylamino)ethoxy]propane-1-sulfonic acid
CID 138592787
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
CID 155189257
2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 155402148
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide
CID 155405417
N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide
CID 155455154
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]acetamide
CID 155455170
2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide
CID 155455216
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide;molecular hydrogen
CID 155707478

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide (CID 155455470) is N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide is CNCCOCCCS(=O)(=O)N(C)C(=O)C(C)C.
What is the InChIKey of N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide?
The InChIKey is ZTVWXHZUDCQIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-10(2)11(14)13(4)18(15,16)9-5-7-17-8-6-12-3/h10,12H,5-9H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide?
N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide has a molecular weight of 280.39 g/mol, XLogP of 0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide is sourced from PubChem (CID 155455470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).