methyl 2-(cyclohexylsulfamoyl)propanoate

C10H19NO4S — CID 63362940

IUPACmethyl 2-(cyclohexylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H19NO4S/c1-8(10(12)15-2)16(13,14)11-9-6-4-3-5-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyDGWQINBGFIQTGH-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.80
Rot. Bonds4

About methyl 2-(cyclohexylsulfamoyl)propanoate

methyl 2-(cyclohexylsulfamoyl)propanoate (PubChem CID 63362940) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 2-(cyclohexylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylsulfamoyl)propanoate
PubChem CID63362940
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-(cyclohexylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H19NO4S/c1-8(10(12)15-2)16(13,14)11-9-6-4-3-5-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyDGWQINBGFIQTGH-UHFFFAOYSA-N
XLogP0.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate
CID 79111140
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816642
N-cyclodecylpropane-2-sulfonamide
CID 131977128
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate
CID 114695160
methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
CID 61459191
methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
CID 55138401
N-cyclohexylbutane-2-sulfonamide
CID 59716186
(2S)-2-aminopropanoic acid;cyclohexylsulfamic acid
CID 67762243
propan-2-yl N-cyclohexylsulfamate
CID 56638183
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl 3-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]-2-methylpropanoate;hydroiodide
CID 110958638

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylsulfamoyl)propanoate?
The IUPAC name of methyl 2-(cyclohexylsulfamoyl)propanoate (CID 63362940) is methyl 2-(cyclohexylsulfamoyl)propanoate.
What is the SMILES notation for methyl 2-(cyclohexylsulfamoyl)propanoate?
The canonical SMILES for methyl 2-(cyclohexylsulfamoyl)propanoate is COC(=O)C(C)S(=O)(=O)NC1CCCCC1.
What is the InChIKey of methyl 2-(cyclohexylsulfamoyl)propanoate?
The InChIKey is DGWQINBGFIQTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(10(12)15-2)16(13,14)11-9-6-4-3-5-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 2-(cyclohexylsulfamoyl)propanoate?
methyl 2-(cyclohexylsulfamoyl)propanoate has a molecular weight of 249.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylsulfamoyl)propanoate is sourced from PubChem (CID 63362940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).