N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide

C10H24N2O4S — CID 114140768

IUPACN-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCCOCCOC
InChIInChI=1S/C10H24N2O4S/c1-11-5-3-4-10-17(13,14)12-6-7-16-9-8-15-2/h11-12H,3-10H2,1-2H3
InChIKeyNPZLMBQYSJAHKB-UHFFFAOYSA-N
MW268.38 g/mol
LogP-0.43
Rot. Bonds12

About N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide

N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide (PubChem CID 114140768) has the molecular formula C10H24N2O4S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
PubChem CID114140768
Molecular FormulaC10H24N2O4S
Molecular Weight268.38 g/mol
Exact Mass268.15
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCCOCCOC
InChIInChI=1S/C10H24N2O4S/c1-11-5-3-4-10-17(13,14)12-6-7-16-9-8-15-2/h11-12H,3-10H2,1-2H3
InChIKeyNPZLMBQYSJAHKB-UHFFFAOYSA-N
XLogP-0.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114141026
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide
CID 106050688
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106091903
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine;1-methoxy-2-(2-methoxyethoxy)ethane
CID 168897586
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
methyl 4-(2-butoxyethylsulfamoyl)butanoate
CID 54951970
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide
CID 163499248

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide (CID 114140768) is N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)NCCOCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide?
The InChIKey is NPZLMBQYSJAHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4S/c1-11-5-3-4-10-17(13,14)12-6-7-16-9-8-15-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide?
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of -0.43, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 114140768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).