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

C10H21NO4S — CID 62735185

IUPACmethyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H21NO4S/c1-9(2)8-16(13,14)11(3)7-5-6-10(12)15-4/h9H,5-8H2,1-4H3
InChIKeyWIEFYIORWKCVJK-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.86
Rot. Bonds7

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

methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate (PubChem CID 62735185) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
PubChem CID62735185
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Namemethyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H21NO4S/c1-9(2)8-16(13,14)11(3)7-5-6-10(12)15-4/h9H,5-8H2,1-4H3
InChIKeyWIEFYIORWKCVJK-UHFFFAOYSA-N
XLogP0.86
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
CID 55150539
methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
CID 114816337
methyl 3-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]propanoate
CID 79585964
methyl 4-[methyl(trifluoromethylsulfonyl)amino]butanoate
CID 55208594
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654
methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate
CID 55010482
methyl 4-[(2,6-difluorophenyl)sulfonyl-methylamino]butanoate
CID 60715440
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
CID 55139195
methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
CID 63382982
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
CID 62334087
methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate
CID 62640130

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate (CID 62735185) is methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)CC(C)C.
What is the InChIKey of methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate?
The InChIKey is WIEFYIORWKCVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9(2)8-16(13,14)11(3)7-5-6-10(12)15-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate?
methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate has a molecular weight of 251.35 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate is sourced from PubChem (CID 62735185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).