2-ethoxy-N-methylethanesulfonamide

C5H13NO3S — CID 23568025

IUPAC2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)NC
InChIInChI=1S/C5H13NO3S/c1-3-9-4-5-10(7,8)6-2/h6H,3-5H2,1-2H3
InChIKeyYGHUICCPUVKTFB-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.43
Rot. Bonds5

About 2-ethoxy-N-methylethanesulfonamide

2-ethoxy-N-methylethanesulfonamide (PubChem CID 23568025) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-methylethanesulfonamide
PubChem CID23568025
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)NC
InChIInChI=1S/C5H13NO3S/c1-3-9-4-5-10(7,8)6-2/h6H,3-5H2,1-2H3
InChIKeyYGHUICCPUVKTFB-UHFFFAOYSA-N
XLogP-0.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethoxyethane-1-sulfonamide
CID 22491140
2-methoxy-N-methylethane-1-sulfonamide
CID 59786686
3-Ethoxypropane-1-sulfonamide
CID 64147174
N-methyloxetane-3-sulfonamide
CID 97617711
(3R)-N-methyloxolane-3-sulfonamide
CID 97167960
(3S)-N-methyloxolane-3-sulfonamide
CID 97167961
(2S)-1-methoxy-N-methylpropane-2-sulfonamide
CID 165739382
(2R)-1-methoxy-N-methylpropane-2-sulfonamide
CID 165739383
N-methyl-2-sulfanyloxyethanesulfonamide
CID 18729248
N-methyloxolane-2-sulfonamide
CID 57147966
N-(methoxymethyl)butane-2-sulfonamide
CID 59716187
N-(2-ethoxyethyl)ethanesulfonamide
CID 61355526

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of 2-ethoxy-N-methylethanesulfonamide (CID 23568025) is 2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)NC.
What is the InChIKey of 2-ethoxy-N-methylethanesulfonamide?
The InChIKey is YGHUICCPUVKTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-3-9-4-5-10(7,8)6-2/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-N-methylethanesulfonamide?
2-ethoxy-N-methylethanesulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 23568025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).