N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide

C10H22N2O4S — CID 155189257

IUPACN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
SMILESCCNCCOCCCS(=O)(=O)N(C)C(C)=O
InChIInChI=1S/C10H22N2O4S/c1-4-11-6-8-16-7-5-9-17(14,15)12(3)10(2)13/h11H,4-9H2,1-3H3
InChIKeyZCLQPSMKQYBXGV-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.19
Rot. Bonds9

About N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide

N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide (PubChem CID 155189257) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
PubChem CID155189257
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
SMILESCCNCCOCCCS(=O)(=O)N(C)C(C)=O
InChIInChI=1S/C10H22N2O4S/c1-4-11-6-8-16-7-5-9-17(14,15)12(3)10(2)13/h11H,4-9H2,1-3H3
InChIKeyZCLQPSMKQYBXGV-UHFFFAOYSA-N
XLogP-0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.19
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide?
The IUPAC name of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide (CID 155189257) is N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide?
The canonical SMILES for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide is CCNCCOCCCS(=O)(=O)N(C)C(C)=O.
What is the InChIKey of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide?
The InChIKey is ZCLQPSMKQYBXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-11-6-8-16-7-5-9-17(14,15)12(3)10(2)13/h11H,4-9H2,1-3H3.
What are the key properties of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide?
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide has a molecular weight of 266.36 g/mol, XLogP of -0.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide is sourced from PubChem (CID 155189257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).