methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate

C15H19NO3S — CID 104586361

IUPACmethyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC(C)Cc2ccc(C)s2)c1
InChIInChI=1S/C15H19NO3S/c1-10(6-14-5-4-11(2)20-14)16-8-13-7-12(9-19-13)15(17)18-3/h4-5,7,9-10,16H,6,8H2,1-3H3
InChIKeyFVMKNRLGRMTLEE-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.16
Rot. Bonds6

About methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate

methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate (PubChem CID 104586361) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate
PubChem CID104586361
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Namemethyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC(C)Cc2ccc(C)s2)c1
InChIInChI=1S/C15H19NO3S/c1-10(6-14-5-4-11(2)20-14)16-8-13-7-12(9-19-13)15(17)18-3/h4-5,7,9-10,16H,6,8H2,1-3H3
InChIKeyFVMKNRLGRMTLEE-UHFFFAOYSA-N
XLogP3.16
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 104586048
methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate
CID 104585846
methyl 5-[(4-methylsulfinylbutan-2-ylamino)methyl]furan-3-carboxylate
CID 104586512
methyl 5-[[(1-amino-1-oxopropan-2-yl)amino]methyl]furan-3-carboxylate
CID 104586651
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 114987217
methyl 5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 115616209
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
5-[(1-phenylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608921
3-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]benzoic acid
CID 103254218
methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 104609167
methyl 5-[(1-methylsulfanylbutan-2-ylamino)methyl]furan-3-carboxylate
CID 104586610

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate (CID 104586361) is methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNC(C)Cc2ccc(C)s2)c1.
What is the InChIKey of methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate?
The InChIKey is FVMKNRLGRMTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10(6-14-5-4-11(2)20-14)16-8-13-7-12(9-19-13)15(17)18-3/h4-5,7,9-10,16H,6,8H2,1-3H3.
What are the key properties of methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate?
methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).