butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate

C10H22N2O4S — CID 176788230

IUPACbutyl 3-[methyl(2-sulfamoylethyl)amino]propanoate
SMILESCCCCOC(=O)CCN(C)CCS(N)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-3-4-8-16-10(13)5-6-12(2)7-9-17(11,14)15/h3-9H2,1-2H3,(H2,11,14,15)
InChIKeyNYYPXGCUXODFFC-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.06
Rot. Bonds9

About butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate

butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate (PubChem CID 176788230) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate.

Molecular Properties

Compound Namebutyl 3-[methyl(2-sulfamoylethyl)amino]propanoate
PubChem CID176788230
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namebutyl 3-[methyl(2-sulfamoylethyl)amino]propanoate
SMILESCCCCOC(=O)CCN(C)CCS(N)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-3-4-8-16-10(13)5-6-12(2)7-9-17(11,14)15/h3-9H2,1-2H3,(H2,11,14,15)
InChIKeyNYYPXGCUXODFFC-UHFFFAOYSA-N
XLogP-0.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.06
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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Frequently Asked Questions

What is the IUPAC name of butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate?
The IUPAC name of butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate (CID 176788230) is butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate.
What is the SMILES notation for butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate?
The canonical SMILES for butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate is CCCCOC(=O)CCN(C)CCS(N)(=O)=O.
What is the InChIKey of butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate?
The InChIKey is NYYPXGCUXODFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-3-4-8-16-10(13)5-6-12(2)7-9-17(11,14)15/h3-9H2,1-2H3,(H2,11,14,15).
What are the key properties of butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate?
butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate has a molecular weight of 266.36 g/mol, XLogP of -0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate is sourced from PubChem (CID 176788230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).