methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate

C11H24N2O4S — CID 54942530

IUPACmethyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate
SMILESCCCCN(C)S(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C11H24N2O4S/c1-5-6-9-12(2)18(15,16)13(3)10-7-8-11(14)17-4/h5-10H2,1-4H3
InChIKeyDHUPZFKZNGGKSD-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.85
Rot. Bonds9

About methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate

methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate (PubChem CID 54942530) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate
PubChem CID54942530
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Namemethyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate
SMILESCCCCN(C)S(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C11H24N2O4S/c1-5-6-9-12(2)18(15,16)13(3)10-7-8-11(14)17-4/h5-10H2,1-4H3
InChIKeyDHUPZFKZNGGKSD-UHFFFAOYSA-N
XLogP0.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethoxy-4-[methyl(sulfinato)amino]-1-oxobutane
CID 138658689
Tert-butyl 4-[chlorosulfonyl(methyl)amino]butanoate
CID 167597453
4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882
4-[[Butyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361577
4-[Dipropylsulfamoyl(methyl)amino]butanoic acid
CID 43361581
Methyl 4-[diethylsulfamoyl(methyl)amino]butanoate
CID 54940539
Methyl 4-[azepan-1-ylsulfonyl(methyl)amino]butanoate
CID 54940578
Methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate
CID 54942529
Methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate
CID 54943298
Methyl 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoate
CID 54943299
Methyl 3-[[butyl(methyl)sulfamoyl]-methylamino]propanoate
CID 54978503

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate (CID 54942530) is methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate is CCCCN(C)S(=O)(=O)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate?
The InChIKey is DHUPZFKZNGGKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-6-9-12(2)18(15,16)13(3)10-7-8-11(14)17-4/h5-10H2,1-4H3.
What are the key properties of methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate?
methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate has a molecular weight of 280.39 g/mol, XLogP of 0.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate is sourced from PubChem (CID 54942530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).