methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate

C11H17NO5S — CID 103921879

IUPACmethyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
SMILESCCS(=O)(=O)CCNCc1ccoc1C(=O)OC
InChIInChI=1S/C11H17NO5S/c1-3-18(14,15)7-5-12-8-9-4-6-17-10(9)11(13)16-2/h4,6,12H,3,5,7-8H2,1-2H3
InChIKeyTXNISJAIPPZMHJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.59
Rot. Bonds7

About methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate

methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate (PubChem CID 103921879) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
PubChem CID103921879
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Namemethyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
SMILESCCS(=O)(=O)CCNCc1ccoc1C(=O)OC
InChIInChI=1S/C11H17NO5S/c1-3-18(14,15)7-5-12-8-9-4-6-17-10(9)11(13)16-2/h4,6,12H,3,5,7-8H2,1-2H3
InChIKeyTXNISJAIPPZMHJ-UHFFFAOYSA-N
XLogP0.59
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
4-[(2-methoxycarbonylfuran-3-yl)methylamino]butanoic acid
CID 60782689
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate
CID 115904855
methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate
CID 43425553
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]furan-2-carboxylate
CID 63858594
methyl 3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]furan-2-carboxylate
CID 106395132
methyl 3-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-carboxylate
CID 103922825
methyl 3-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]furan-2-carboxylate
CID 63332859
methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate
CID 104928237

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate (CID 103921879) is methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate is CCS(=O)(=O)CCNCc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate?
The InChIKey is TXNISJAIPPZMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-3-18(14,15)7-5-12-8-9-4-6-17-10(9)11(13)16-2/h4,6,12H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate?
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 103921879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).