methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate

C14H20N2O6S — CID 51087062

IUPACmethyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O6S/c1-16(7-12-11(3-5-22-12)14(18)21-2)8-13(17)15-10-4-6-23(19,20)9-10/h3,5,10H,4,6-9H2,1-2H3,(H,15,17)
InChIKeySWMQTAQQYHBPRN-UHFFFAOYSA-N
MW344.39 g/mol
LogP-0.20
Rot. Bonds6

About methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate

methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate (PubChem CID 51087062) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
PubChem CID51087062
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Namemethyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O6S/c1-16(7-12-11(3-5-22-12)14(18)21-2)8-13(17)15-10-4-6-23(19,20)9-10/h3,5,10H,4,6-9H2,1-2H3,(H,15,17)
InChIKeySWMQTAQQYHBPRN-UHFFFAOYSA-N
XLogP-0.20
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate (CID 51087062) is methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(C)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The InChIKey is SWMQTAQQYHBPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-16(7-12-11(3-5-22-12)14(18)21-2)8-13(17)15-10-4-6-23(19,20)9-10/h3,5,10H,4,6-9H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate has a molecular weight of 344.39 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 51087062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).