1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol

C14H23NO2S — CID 24713892

IUPAC1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(CCOC)Cc1cccs1
InChIInChI=1S/C14H23NO2S/c1-3-4-6-13(16)11-15(8-9-17-2)12-14-7-5-10-18-14/h3,5,7,10,13,16H,1,4,6,8-9,11-12H2,2H3
InChIKeyPTQBXFVZWJTOEF-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.52
Rot. Bonds10

About 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol

1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol (PubChem CID 24713892) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
PubChem CID24713892
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(CCOC)Cc1cccs1
InChIInChI=1S/C14H23NO2S/c1-3-4-6-13(16)11-15(8-9-17-2)12-14-7-5-10-18-14/h3,5,7,10,13,16H,1,4,6,8-9,11-12H2,2H3
InChIKeyPTQBXFVZWJTOEF-UHFFFAOYSA-N
XLogP2.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-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

Related Compounds

1-({2-[(2-Thienylmethyl)amino]ethyl}amino)-2-propanol dihydrochloride
CID 16189374
4-(Thiophen-2-ylmethyl)morpholine
CID 240843
(2-Methoxyethyl)[(thiophen-2-yl)methyl]amine
CID 4719999
N-[1-(hydroxymethyl)propyl]-2-(methylthio)-N-(2-thienylmethyl)acetamide
CID 46997059
N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 71932902
1-{[(5-Methylthiophen-2-yl)methyl]amino}propan-2-ol
CID 3157956
1-({2-[(Thiophen-2-ylmethyl)amino]ethyl}amino)propan-2-ol
CID 2969976
(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
CID 834206
(2R)-2-(fluoromethyl)-4-(thiophen-2-ylmethyl)morpholine
CID 129348709
2-{[Methyl(2-thienylmethyl)amino]thioxomethylthio}ethan-1-ol
CID 3459252
1-[(2-Methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 3918563
1-[Butan-2-yl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 42682356

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol?
The IUPAC name of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol (CID 24713892) is 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol?
The canonical SMILES for 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol is C=CCCC(O)CN(CCOC)Cc1cccs1.
What is the InChIKey of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol?
The InChIKey is PTQBXFVZWJTOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-4-6-13(16)11-15(8-9-17-2)12-14-7-5-10-18-14/h3,5,7,10,13,16H,1,4,6,8-9,11-12H2,2H3.
What are the key properties of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol?
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol has a molecular weight of 269.41 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol is sourced from PubChem (CID 24713892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).