methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate

C14H21NO4S — CID 104721681

IUPACmethyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCC2(OC)CCOC2)s1
InChIInChI=1S/C14H21NO4S/c1-17-13(16)7-11-3-4-12(20-11)8-15-9-14(18-2)5-6-19-10-14/h3-4,15H,5-10H2,1-2H3
InChIKeyMNNVPNUTULWZQS-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.36
Rot. Bonds7

About methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate (PubChem CID 104721681) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate
PubChem CID104721681
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCC2(OC)CCOC2)s1
InChIInChI=1S/C14H21NO4S/c1-17-13(16)7-11-3-4-12(20-11)8-15-9-14(18-2)5-6-19-10-14/h3-4,15H,5-10H2,1-2H3
InChIKeyMNNVPNUTULWZQS-UHFFFAOYSA-N
XLogP1.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[[(1-hydroxycycloheptyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82887983
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103266355
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705070
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759669
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 104704966
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
CID 104705116
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104760743

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate (CID 104721681) is methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNCC2(OC)CCOC2)s1.
What is the InChIKey of methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate?
The InChIKey is MNNVPNUTULWZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-17-13(16)7-11-3-4-12(20-11)8-15-9-14(18-2)5-6-19-10-14/h3-4,15H,5-10H2,1-2H3.
What are the key properties of methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate has a molecular weight of 299.39 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 104721681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).