methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate

C10H22N2O5S — CID 83039400

IUPACmethyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
SMILESCOCCNCCNS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C10H22N2O5S/c1-16-8-7-11-5-6-12-18(14,15)9-3-4-10(13)17-2/h11-12H,3-9H2,1-2H3
InChIKeyKPKGJTRVMJLKSV-UHFFFAOYSA-N
MW282.36 g/mol
LogP-0.90
Rot. Bonds11

About methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate

methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate (PubChem CID 83039400) has the molecular formula C10H22N2O5S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
PubChem CID83039400
Molecular FormulaC10H22N2O5S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Namemethyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
SMILESCOCCNCCNS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C10H22N2O5S/c1-16-8-7-11-5-6-12-18(14,15)9-3-4-10(13)17-2/h11-12H,3-9H2,1-2H3
InChIKeyKPKGJTRVMJLKSV-UHFFFAOYSA-N
XLogP-0.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
CID 120717495
methyl 4-(2-butoxyethylsulfamoyl)butanoate
CID 54951970
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
methyl 4-(prop-2-enylsulfamoyl)butanoate
CID 61460361
methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate
CID 99802832
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
methyl 4-methoxybutanoate
CID 542317

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate (CID 83039400) is methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate is COCCNCCNS(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate?
The InChIKey is KPKGJTRVMJLKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S/c1-16-8-7-11-5-6-12-18(14,15)9-3-4-10(13)17-2/h11-12H,3-9H2,1-2H3.
What are the key properties of methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate?
methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate has a molecular weight of 282.36 g/mol, XLogP of -0.90, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate is sourced from PubChem (CID 83039400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).