N-(2-ethoxyethyl)-N-methylmethanesulfonamide

C6H15NO3S — CID 81073897

IUPACN-(2-ethoxyethyl)-N-methylmethanesulfonamide
SMILESCCOCCN(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-4-10-6-5-7(2)11(3,8)9/h4-6H2,1-3H3
InChIKeyFZNFGFSXAQBIHA-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.09
Rot. Bonds5

About N-(2-ethoxyethyl)-N-methylmethanesulfonamide

N-(2-ethoxyethyl)-N-methylmethanesulfonamide (PubChem CID 81073897) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methylmethanesulfonamide
PubChem CID81073897
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-(2-ethoxyethyl)-N-methylmethanesulfonamide
SMILESCCOCCN(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-4-10-6-5-7(2)11(3,8)9/h4-6H2,1-3H3
InChIKeyFZNFGFSXAQBIHA-UHFFFAOYSA-N
XLogP-0.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethoxyethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methylmethanesulfonamide (CID 81073897) is N-(2-ethoxyethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methylmethanesulfonamide is CCOCCN(C)S(C)(=O)=O.
What is the InChIKey of N-(2-ethoxyethyl)-N-methylmethanesulfonamide?
The InChIKey is FZNFGFSXAQBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-4-10-6-5-7(2)11(3,8)9/h4-6H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-methylmethanesulfonamide?
N-(2-ethoxyethyl)-N-methylmethanesulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 81073897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).