methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate

C13H19NO5S — CID 103342929

IUPACmethyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1ccc(C)o1
InChIInChI=1S/C13H19NO5S/c1-9-6-7-10(19-9)8-14-20(16,17)12-5-3-4-11(12)13(15)18-2/h6-7,11-12,14H,3-5,8H2,1-2H3
InChIKeyYUGRHWWRVRMIIP-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.35
Rot. Bonds5

About methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342929) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342929
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Namemethyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1ccc(C)o1
InChIInChI=1S/C13H19NO5S/c1-9-6-7-10(19-9)8-14-20(16,17)12-5-3-4-11(12)13(15)18-2/h6-7,11-12,14H,3-5,8H2,1-2H3
InChIKeyYUGRHWWRVRMIIP-UHFFFAOYSA-N
XLogP1.35
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Propane-1-sulfonic acid (furan-2-ylmethyl)-amide
CID 2445210
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 176435052
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)methanesulfonamide
CID 3853551
N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylethene-1-sulfonamide
CID 47109898
N-(furan-2-ylmethyl)propane-2-sulfonamide
CID 10512356
Methyl 2-[5-[(butylsulfonylamino)methyl]furan-3-yl]acetate
CID 58942841
N-(furan-2-ylmethyl)-2-methylpropane-2-sulfonamide
CID 71051521
N-(Furan-2-ylmethyl)cyclohexanesulfonamide
CID 86702149
N-(Furan-2-ylmethyl)tetrahydrofuran-3-sulfonamide
CID 86702150
N-(furan-2-ylmethyl)pentane-3-sulfonamide
CID 91190592
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 2422744
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 2422745

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate (CID 103342929) is methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCc1ccc(C)o1.
What is the InChIKey of methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is YUGRHWWRVRMIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-9-6-7-10(19-9)8-14-20(16,17)12-5-3-4-11(12)13(15)18-2/h6-7,11-12,14H,3-5,8H2,1-2H3.
What are the key properties of methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 301.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).