N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide

C9H21NO4S — CID 59912483

IUPACN-[2-(2-butoxyethoxy)ethyl]methanesulfonamide
SMILESCCCCOCCOCCNS(C)(=O)=O
InChIInChI=1S/C9H21NO4S/c1-3-4-6-13-8-9-14-7-5-10-15(2,11)12/h10H,3-9H2,1-2H3
InChIKeyFYXRDXTVETXIOE-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.37
Rot. Bonds10

About N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide

N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide (PubChem CID 59912483) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]methanesulfonamide
PubChem CID59912483
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]methanesulfonamide
SMILESCCCCOCCOCCNS(C)(=O)=O
InChIInChI=1S/C9H21NO4S/c1-3-4-6-13-8-9-14-7-5-10-15(2,11)12/h10H,3-9H2,1-2H3
InChIKeyFYXRDXTVETXIOE-UHFFFAOYSA-N
XLogP0.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.37
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-(2-butoxyethoxy)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide (CID 59912483) is N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide is CCCCOCCOCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide?
The InChIKey is FYXRDXTVETXIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-3-4-6-13-8-9-14-7-5-10-15(2,11)12/h10H,3-9H2,1-2H3.
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide?
N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 59912483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).