methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate

C9H14F3NO4S — CID 106209134

IUPACmethyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO4S/c1-17-7(14)3-2-6-18(15,16)13-8(4-5-8)9(10,11)12/h13H,2-6H2,1H3
InChIKeyGWQZWDWGGBHESG-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.95
Rot. Bonds6

About methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate

methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate (PubChem CID 106209134) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate
PubChem CID106209134
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Namemethyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO4S/c1-17-7(14)3-2-6-18(15,16)13-8(4-5-8)9(10,11)12/h13H,2-6H2,1H3
InChIKeyGWQZWDWGGBHESG-UHFFFAOYSA-N
XLogP0.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-(3,3,3-trifluoropropylsulfamoyl)butanoate
CID 63226126
3,3,3-Trifluoro-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid
CID 79793522
1-(4,4,4-Trifluorobutylsulfonylamino)cyclopropane-1-carboxylic acid
CID 83067806
4-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid
CID 106209095
2-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]propanoic acid
CID 106209140
Methyl 4-(tert-butylsulfamoyl)butanoate
CID 61457680
Methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate
CID 91756297
Methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate
CID 115634647

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate?
The IUPAC name of methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate (CID 106209134) is methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate?
The InChIKey is GWQZWDWGGBHESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c1-17-7(14)3-2-6-18(15,16)13-8(4-5-8)9(10,11)12/h13H,2-6H2,1H3.
What are the key properties of methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate?
methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate has a molecular weight of 289.28 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate is sourced from PubChem (CID 106209134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).