methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate

C10H22N2O4S — CID 114816337

IUPACmethyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)NCC(C)C
InChIInChI=1S/C10H22N2O4S/c1-9(2)8-11-17(14,15)12(3)7-5-6-10(13)16-4/h9,11H,5-8H2,1-4H3
InChIKeyXSSVCWQTMACUEJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.36
Rot. Bonds8

About methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate

methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate (PubChem CID 114816337) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
PubChem CID114816337
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)NCC(C)C
InChIInChI=1S/C10H22N2O4S/c1-9(2)8-11-17(14,15)12(3)7-5-6-10(13)16-4/h9,11H,5-8H2,1-4H3
InChIKeyXSSVCWQTMACUEJ-UHFFFAOYSA-N
XLogP0.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
CID 62735185
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
CID 115754514
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
methyl 4-[methyl(trifluoromethylsulfonyl)amino]butanoate
CID 55208594
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
CID 55150539
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate
CID 55010482
methyl 4-[(3,5-difluorophenyl)sulfonyl-methylamino]butanoate
CID 60715418

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate (CID 114816337) is methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)NCC(C)C.
What is the InChIKey of methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate?
The InChIKey is XSSVCWQTMACUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-9(2)8-11-17(14,15)12(3)7-5-6-10(13)16-4/h9,11H,5-8H2,1-4H3.
What are the key properties of methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate?
methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate has a molecular weight of 266.36 g/mol, XLogP of 0.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate is sourced from PubChem (CID 114816337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).