methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate

C12H26N2O4S — CID 54942529

IUPACmethyl 4-[dipropylsulfamoyl(methyl)amino]butanoate
SMILESCCCN(CCC)S(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C12H26N2O4S/c1-5-9-14(10-6-2)19(16,17)13(3)11-7-8-12(15)18-4/h5-11H2,1-4H3
InChIKeyKTQBXMVXZVSASD-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.24
Rot. Bonds10

About methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate

methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate (PubChem CID 54942529) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[dipropylsulfamoyl(methyl)amino]butanoate
PubChem CID54942529
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Namemethyl 4-[dipropylsulfamoyl(methyl)amino]butanoate
SMILESCCCN(CCC)S(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C12H26N2O4S/c1-5-9-14(10-6-2)19(16,17)13(3)11-7-8-12(15)18-4/h5-11H2,1-4H3
InChIKeyKTQBXMVXZVSASD-UHFFFAOYSA-N
XLogP1.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]butanoate
CID 62013093
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 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate
CID 54899559
Methyl 4-[diethylsulfamoyl(methyl)amino]butanoate
CID 54940539
Methyl 4-[azepan-1-ylsulfonyl(methyl)amino]butanoate
CID 54940578
Methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate
CID 54942530
Methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate
CID 54943298
Methyl 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoate
CID 54943299
4-[[Methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]butanoic acid
CID 54947353
Methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate
CID 54979307

Frequently Asked Questions

What is the IUPAC name of methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate (CID 54942529) is methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate is CCCN(CCC)S(=O)(=O)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate?
The InChIKey is KTQBXMVXZVSASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-9-14(10-6-2)19(16,17)13(3)11-7-8-12(15)18-4/h5-11H2,1-4H3.
What are the key properties of methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate?
methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate has a molecular weight of 294.42 g/mol, XLogP of 1.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate is sourced from PubChem (CID 54942529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).