2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide

C13H31NO8S — CID 142114963

IUPAC2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide
SMILESCCOCCOCCO.CS(=O)(=O)NCCOCCOCCO
InChIInChI=1S/C7H17NO5S.C6H14O3/c1-14(10,11)8-2-4-12-6-7-13-5-3-9;1-2-8-5-6-9-4-3-7/h8-9H,2-7H2,1H3;7H,2-6H2,1H3
InChIKeyXYEVXSHNBVVGRP-UHFFFAOYSA-N
MW361.46 g/mol
LogP-1.41
Rot. Bonds15

About 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide

2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide (PubChem CID 142114963) has the molecular formula C13H31NO8S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide
PubChem CID142114963
Molecular FormulaC13H31NO8S
Molecular Weight361.46 g/mol
Exact Mass361.18
IUPAC Name2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide
SMILESCCOCCOCCO.CS(=O)(=O)NCCOCCOCCO
InChIInChI=1S/C7H17NO5S.C6H14O3/c1-14(10,11)8-2-4-12-6-7-13-5-3-9;1-2-8-5-6-9-4-3-7/h8-9H,2-7H2,1H3;7H,2-6H2,1H3
InChIKeyXYEVXSHNBVVGRP-UHFFFAOYSA-N
XLogP-1.41
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 23501944
N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide
CID 23573805
N-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethyl]methanesulfonamide
CID 57646331
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]methanesulfonamide
CID 58734331
N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide
CID 58995661
N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide
CID 59747327
N-[2-(2-butoxyethoxy)ethyl]methanesulfonamide
CID 59912483
N-[2-(2-hydroxyethoxy)ethyl]ethanesulfonamide
CID 62498131
N-[2-(2-hydroxyethoxy)ethyl]propane-2-sulfonamide
CID 62500392
N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide
CID 63689546
N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide
CID 88991651
1-Amino-2-(2-hydroxyethoxy)ethanol;2-hydroxyethanesulfonic acid;2-(2-hydroxyethoxy)ethanol
CID 89422097

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide?
The IUPAC name of 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide (CID 142114963) is 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide?
The canonical SMILES for 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide is CCOCCOCCO.CS(=O)(=O)NCCOCCOCCO.
What is the InChIKey of 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide?
The InChIKey is XYEVXSHNBVVGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO5S.C6H14O3/c1-14(10,11)8-2-4-12-6-7-13-5-3-9;1-2-8-5-6-9-4-3-7/h8-9H,2-7H2,1H3;7H,2-6H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide?
2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide has a molecular weight of 361.46 g/mol, XLogP of -1.41, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 142114963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).