methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate

C10H21NO4S — CID 55139195

IUPACmethyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
SMILESCCC(C)N(C)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C10H21NO4S/c1-5-9(2)11(3)16(13,14)8-6-7-10(12)15-4/h9H,5-8H2,1-4H3
InChIKeyALKWZZUZTFLPPX-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.00
Rot. Bonds7

About methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate

methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate (PubChem CID 55139195) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
PubChem CID55139195
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Namemethyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
SMILESCCC(C)N(C)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C10H21NO4S/c1-5-9(2)11(3)16(13,14)8-6-7-10(12)15-4/h9H,5-8H2,1-4H3
InChIKeyALKWZZUZTFLPPX-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[butan-2-yl(methyl)sulfamoyl]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

methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate
CID 103187968
methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
CID 55150539
N-butan-2-yl-3-chloro-N-methylpropane-1-sulfonamide
CID 43654521
methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate
CID 86972402
methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
CID 61460515
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654
methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
CID 66185019
methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]sulfamoyl]butanoate
CID 61477235
methyl 4-(4-butan-2-ylpiperazin-1-yl)sulfonylbutanoate
CID 62773273
2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid
CID 62818553
methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
CID 62735185
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165

Frequently Asked Questions

What is the IUPAC name of methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate (CID 55139195) is methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate is CCC(C)N(C)S(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate?
The InChIKey is ALKWZZUZTFLPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-5-9(2)11(3)16(13,14)8-6-7-10(12)15-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate?
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate has a molecular weight of 251.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate is sourced from PubChem (CID 55139195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).