4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol

C13H23NO2S — CID 103906007

IUPAC4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C13H23NO2S/c1-9-7-13(11(3)17-9)10(2)14-6-5-12(15)8-16-4/h7,10,12,14-15H,5-6,8H2,1-4H3
InChIKeyOBYGTFFUDUBDPB-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.41
Rot. Bonds7

About 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol

4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol (PubChem CID 103906007) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol
PubChem CID103906007
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C13H23NO2S/c1-9-7-13(11(3)17-9)10(2)14-6-5-12(15)8-16-4/h7,10,12,14-15H,5-6,8H2,1-4H3
InChIKeyOBYGTFFUDUBDPB-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol (CID 103906007) is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol is COCC(O)CCNC(C)c1cc(C)sc1C.
What is the InChIKey of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol?
The InChIKey is OBYGTFFUDUBDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-9-7-13(11(3)17-9)10(2)14-6-5-12(15)8-16-4/h7,10,12,14-15H,5-6,8H2,1-4H3.
What are the key properties of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol?
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol has a molecular weight of 257.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 103906007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).