ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate

C12H19NO2S — CID 64660856

IUPACethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(C)Cc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-4-11(12(14)15-5-2)13(3)8-10-6-7-16-9-10/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyUUVRQYZILSZKAN-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.52
Rot. Bonds6

About ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate

ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate (PubChem CID 64660856) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
PubChem CID64660856
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(C)Cc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-4-11(12(14)15-5-2)13(3)8-10-6-7-16-9-10/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyUUVRQYZILSZKAN-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
CID 62027010
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
ethyl 2-thiophen-3-ylbutanoate
CID 12577566
(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 43528245
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
CID 8925835
methyl 3-[ethoxycarbonyl(thiophen-3-ylmethyl)amino]propanoate
CID 58293749
2-amino-N-propan-2-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66569001
4,4-dimethoxy-2-N-methyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 66269559
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate?
The IUPAC name of ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate (CID 64660856) is ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate?
The canonical SMILES for ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate is CCOC(=O)C(CC)N(C)Cc1ccsc1.
What is the InChIKey of ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate?
The InChIKey is UUVRQYZILSZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-11(12(14)15-5-2)13(3)8-10-6-7-16-9-10/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate?
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate has a molecular weight of 241.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate is sourced from PubChem (CID 64660856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).