methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate

C10H22N2O4S — CID 54978503

IUPACmethyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate
SMILESCCCCN(C)S(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-5-6-8-11(2)17(14,15)12(3)9-7-10(13)16-4/h5-9H2,1-4H3
InChIKeyVDESMRVWHIEEJM-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.46
Rot. Bonds8

About methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate

methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate (PubChem CID 54978503) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate
PubChem CID54978503
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate
SMILESCCCCN(C)S(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-5-6-8-11(2)17(14,15)12(3)9-7-10(13)16-4/h5-9H2,1-4H3
InChIKeyVDESMRVWHIEEJM-UHFFFAOYSA-N
XLogP0.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate (CID 54978503) is methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate is CCCCN(C)S(=O)(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate?
The InChIKey is VDESMRVWHIEEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-6-8-11(2)17(14,15)12(3)9-7-10(13)16-4/h5-9H2,1-4H3.
What are the key properties of methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate?
methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate has a molecular weight of 266.36 g/mol, XLogP of 0.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate is sourced from PubChem (CID 54978503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).