N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide

C11H24N2O3S — CID 126833823

IUPACN-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NCCS(C)(=O)=NC
InChIInChI=1S/C11H24N2O3S/c1-4-5-6-8-16-10-11(14)13-7-9-17(3,15)12-2/h4-10H2,1-3H3,(H,13,14)
InChIKeyDCDXRZGSQKBOSC-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.04
Rot. Bonds9

About N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide

N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide (PubChem CID 126833823) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide.

Molecular Properties

Compound NameN-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide
PubChem CID126833823
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NCCS(C)(=O)=NC
InChIInChI=1S/C11H24N2O3S/c1-4-5-6-8-16-10-11(14)13-7-9-17(3,15)12-2/h4-10H2,1-3H3,(H,13,14)
InChIKeyDCDXRZGSQKBOSC-UHFFFAOYSA-N
XLogP1.04
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide?
The IUPAC name of N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide (CID 126833823) is N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide.
What is the SMILES notation for N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide?
The canonical SMILES for N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide is CCCCCOCC(=O)NCCS(C)(=O)=NC.
What is the InChIKey of N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide?
The InChIKey is DCDXRZGSQKBOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-5-6-8-16-10-11(14)13-7-9-17(3,15)12-2/h4-10H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide?
N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide has a molecular weight of 264.39 g/mol, XLogP of 1.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide is sourced from PubChem (CID 126833823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).