methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate

C11H15NO3S — CID 115248623

IUPACmethyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN(C)c2cccs2)COC1
InChIInChI=1S/C11H15NO3S/c1-12(9-4-3-5-16-9)6-11(7-15-8-11)10(13)14-2/h3-5H,6-8H2,1-2H3
InChIKeyKJKJUIRGYLVXKK-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.37
Rot. Bonds4

About methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate

methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate (PubChem CID 115248623) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate
PubChem CID115248623
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN(C)c2cccs2)COC1
InChIInChI=1S/C11H15NO3S/c1-12(9-4-3-5-16-9)6-11(7-15-8-11)10(13)14-2/h3-5H,6-8H2,1-2H3
InChIKeyKJKJUIRGYLVXKK-UHFFFAOYSA-N
XLogP1.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[methyl(thiophen-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248861
methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate
CID 116930219
1,1,3,3-tetrathiophen-2-ylurea
CID 19774771
methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
CID 16639184
methyl 1-[(N,2-dimethylanilino)methyl]cyclobutane-1-carboxylate
CID 115247264
methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
CID 115128321
[methyl(thiophen-2-yl)amino]methanethiol
CID 115227704
methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 75484639
1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide
CID 115183976
methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247640
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745371
1,3-dimethyl-1-thiophen-2-ylurea
CID 115168951

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate (CID 115248623) is methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate is COC(=O)C1(CN(C)c2cccs2)COC1.
What is the InChIKey of methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate?
The InChIKey is KJKJUIRGYLVXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-12(9-4-3-5-16-9)6-11(7-15-8-11)10(13)14-2/h3-5H,6-8H2,1-2H3.
What are the key properties of methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate?
methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate has a molecular weight of 241.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate is sourced from PubChem (CID 115248623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).