methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate

C13H21NO2S — CID 62010972

IUPACmethyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1ccc(CC)s1
InChIInChI=1S/C13H21NO2S/c1-4-8-14(10-13(15)16-3)9-12-7-6-11(5-2)17-12/h6-7H,4-5,8-10H2,1-3H3
InChIKeyRUHCIMWSRDSMNJ-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.70
Rot. Bonds7

About methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate

methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate (PubChem CID 62010972) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
PubChem CID62010972
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Namemethyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1ccc(CC)s1
InChIInChI=1S/C13H21NO2S/c1-4-8-14(10-13(15)16-3)9-12-7-6-11(5-2)17-12/h6-7H,4-5,8-10H2,1-3H3
InChIKeyRUHCIMWSRDSMNJ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate
CID 62010884
2-[(5-methylthiophen-2-yl)methyl-propylamino]acetic acid
CID 65064587
methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate
CID 62012332
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
methyl 2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylamino]acetate
CID 62011760
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate
CID 60565308
methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate
CID 62012526
methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
CID 62011366
methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate
CID 103821518
methyl 2-[(5-bromothiophen-3-yl)methyl-propylamino]acetate
CID 62011184
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate?
The IUPAC name of methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate (CID 62010972) is methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate is CCCN(CC(=O)OC)Cc1ccc(CC)s1.
What is the InChIKey of methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate?
The InChIKey is RUHCIMWSRDSMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-8-14(10-13(15)16-3)9-12-7-6-11(5-2)17-12/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate?
methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate has a molecular weight of 255.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate is sourced from PubChem (CID 62010972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).