N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate

C11H19NO2S — CID 159114515

IUPACN,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate
SMILESCCOC(C)=O.CN(C)Cc1cccs1
InChIInChI=1S/C7H11NS.C4H8O2/c1-8(2)6-7-4-3-5-9-7;1-3-6-4(2)5/h3-5H,6H2,1-2H3;3H2,1-2H3
InChIKeyKEXJYLZEFMASAS-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.38
Rot. Bonds3

About N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate

N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate (PubChem CID 159114515) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate.

Molecular Properties

Compound NameN,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate
PubChem CID159114515
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate
SMILESCCOC(C)=O.CN(C)Cc1cccs1
InChIInChI=1S/C7H11NS.C4H8O2/c1-8(2)6-7-4-3-5-9-7;1-3-6-4(2)5/h3-5H,6H2,1-2H3;3H2,1-2H3
InChIKeyKEXJYLZEFMASAS-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
2-(Methyl-thiophen-2-ylmethyl-thiocarbamoylsulfanyl)-propionic acid
CID 3840043
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
(Methyl-thiophen-2-ylmethyl-thiocarbamoylsulfanyl)-acetic acid butyl ester
CID 3110791
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
Methyl (thiophen-2-ylmethyl)glycinate
CID 11332886
Methyl 3-[(3-methoxy-3-oxopropyl)-(thiophen-2-ylmethyl)amino]propanoate
CID 54338349
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 51081592
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate
CID 764508
N-methyl-N-(2-thenyl)aminomethyltriethoxysilane
CID 14935629

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate?
The IUPAC name of N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate (CID 159114515) is N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate.
What is the SMILES notation for N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate?
The canonical SMILES for N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate is CCOC(C)=O.CN(C)Cc1cccs1.
What is the InChIKey of N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate?
The InChIKey is KEXJYLZEFMASAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.C4H8O2/c1-8(2)6-7-4-3-5-9-7;1-3-6-4(2)5/h3-5H,6H2,1-2H3;3H2,1-2H3.
What are the key properties of N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate?
N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate has a molecular weight of 229.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate is sourced from PubChem (CID 159114515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).