2-methoxy-N-(4-methoxybutyl)ethanesulfonamide

C8H19NO4S — CID 110416443

IUPAC2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
SMILESCOCCCCNS(=O)(=O)CCOC
InChIInChI=1S/C8H19NO4S/c1-12-6-4-3-5-9-14(10,11)8-7-13-2/h9H,3-8H2,1-2H3
InChIKeyCNLGSYAPGWAQQU-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.02
Rot. Bonds9

About 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide

2-methoxy-N-(4-methoxybutyl)ethanesulfonamide (PubChem CID 110416443) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
PubChem CID110416443
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC Name2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
SMILESCOCCCCNS(=O)(=O)CCOC
InChIInChI=1S/C8H19NO4S/c1-12-6-4-3-5-9-14(10,11)8-7-13-2/h9H,3-8H2,1-2H3
InChIKeyCNLGSYAPGWAQQU-UHFFFAOYSA-N
XLogP-0.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.02
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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Related Compounds

N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-[3-(2-methoxyethylsulfonylamino)propyl]acetamide
CID 110309562
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide (CID 110416443) is 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide is COCCCCNS(=O)(=O)CCOC.
What is the InChIKey of 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide?
The InChIKey is CNLGSYAPGWAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-12-6-4-3-5-9-14(10,11)8-7-13-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide?
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide has a molecular weight of 225.31 g/mol, XLogP of -0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methoxybutyl)ethanesulfonamide is sourced from PubChem (CID 110416443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).