methyl 4-(2-butoxyethylsulfamoyl)butanoate

C11H23NO5S — CID 54951970

IUPACmethyl 4-(2-butoxyethylsulfamoyl)butanoate
SMILESCCCCOCCNS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H23NO5S/c1-3-4-8-17-9-7-12-18(14,15)10-5-6-11(13)16-2/h12H,3-10H2,1-2H3
InChIKeyZSWHYNAJBJWONG-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.68
Rot. Bonds11

About methyl 4-(2-butoxyethylsulfamoyl)butanoate

methyl 4-(2-butoxyethylsulfamoyl)butanoate (PubChem CID 54951970) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is methyl 4-(2-butoxyethylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-butoxyethylsulfamoyl)butanoate
PubChem CID54951970
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Namemethyl 4-(2-butoxyethylsulfamoyl)butanoate
SMILESCCCCOCCNS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H23NO5S/c1-3-4-8-17-9-7-12-18(14,15)10-5-6-11(13)16-2/h12H,3-10H2,1-2H3
InChIKeyZSWHYNAJBJWONG-UHFFFAOYSA-N
XLogP0.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
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-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
CID 83039400
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
methyl 4-heptoxybutanoate
CID 43378175
methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470261
methyl 4-[2-(methylamino)ethoxy]butanoate
CID 82353174
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
methyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469998
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-butoxyethylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(2-butoxyethylsulfamoyl)butanoate (CID 54951970) is methyl 4-(2-butoxyethylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(2-butoxyethylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(2-butoxyethylsulfamoyl)butanoate is CCCCOCCNS(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-(2-butoxyethylsulfamoyl)butanoate?
The InChIKey is ZSWHYNAJBJWONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-3-4-8-17-9-7-12-18(14,15)10-5-6-11(13)16-2/h12H,3-10H2,1-2H3.
What are the key properties of methyl 4-(2-butoxyethylsulfamoyl)butanoate?
methyl 4-(2-butoxyethylsulfamoyl)butanoate has a molecular weight of 281.37 g/mol, XLogP of 0.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-butoxyethylsulfamoyl)butanoate is sourced from PubChem (CID 54951970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).