2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide

C10H23NO4S — CID 110415654

IUPAC2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCCC(C)C
InChIInChI=1S/C10H23NO4S/c1-10(2)4-5-11-16(12,13)9-8-15-7-6-14-3/h10-11H,4-9H2,1-3H3
InChIKeyVSEFEEWBSMPSPL-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.61
Rot. Bonds10

About 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide

2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide (PubChem CID 110415654) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide
PubChem CID110415654
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCCC(C)C
InChIInChI=1S/C10H23NO4S/c1-10(2)4-5-11-16(12,13)9-8-15-7-6-14-3/h10-11H,4-9H2,1-3H3
InChIKeyVSEFEEWBSMPSPL-UHFFFAOYSA-N
XLogP0.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.61
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 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide (CID 110415654) is 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide is COCCOCCS(=O)(=O)NCCC(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide?
The InChIKey is VSEFEEWBSMPSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-10(2)4-5-11-16(12,13)9-8-15-7-6-14-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide?
2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide has a molecular weight of 253.36 g/mol, XLogP of 0.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 110415654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).