methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate

C13H19NO2S — CID 82894804

IUPACmethyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNC2CC2(C)C)s1
InChIInChI=1S/C13H19NO2S/c1-13(2)7-11(13)14-8-10-5-4-9(17-10)6-12(15)16-3/h4-5,11,14H,6-8H2,1-3H3
InChIKeyPDKXGJFWKZREQB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.35
Rot. Bonds5

About methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate (PubChem CID 82894804) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate
PubChem CID82894804
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNC2CC2(C)C)s1
InChIInChI=1S/C13H19NO2S/c1-13(2)7-11(13)14-8-10-5-4-9(17-10)6-12(15)16-3/h4-5,11,14H,6-8H2,1-3H3
InChIKeyPDKXGJFWKZREQB-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
CID 82894760
methyl 2-[5-(2,2-dimethylcyclopropanecarbonyl)thiophen-2-yl]acetate
CID 107000815
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
methyl 2-[5-[[(3-hydroxycyclobutyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894526
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[[(3-methylsulfanylcyclohexyl)amino]methyl]thiophen-2-yl]acetate
CID 103923019
methyl 2-[5-[(pentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894176
methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894379
methyl 2-[5-[[(1-hydroxycycloheptyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82887983
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]-4-methylpentanoic acid
CID 82894730
methyl 2-[5-[(2-acetamidoethylamino)methyl]thiophen-2-yl]acetate
CID 82894116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate (CID 82894804) is methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNC2CC2(C)C)s1.
What is the InChIKey of methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate?
The InChIKey is PDKXGJFWKZREQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2)7-11(13)14-8-10-5-4-9(17-10)6-12(15)16-3/h4-5,11,14H,6-8H2,1-3H3.
What are the key properties of methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate has a molecular weight of 253.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82894804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).