1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol

C15H25NO2S — CID 24713400

IUPAC1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(CCCOC)Cc1cccs1
InChIInChI=1S/C15H25NO2S/c1-3-4-7-14(17)12-16(9-6-10-18-2)13-15-8-5-11-19-15/h3,5,8,11,14,17H,1,4,6-7,9-10,12-13H2,2H3
InChIKeyOOGWOIWMWRYHMK-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.91
Rot. Bonds11

About 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol

1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol (PubChem CID 24713400) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
PubChem CID24713400
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(CCCOC)Cc1cccs1
InChIInChI=1S/C15H25NO2S/c1-3-4-7-14(17)12-16(9-6-10-18-2)13-15-8-5-11-19-15/h3,5,8,11,14,17H,1,4,6-7,9-10,12-13H2,2H3
InChIKeyOOGWOIWMWRYHMK-UHFFFAOYSA-N
XLogP2.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-methoxypropyl(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

(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161338
(2S)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161343
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
(2S)-1-[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 93160585
(2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 93147090
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 24713399
1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 42794651
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46006985
(2R)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]hex-5-en-2-ol
CID 93146898
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359
(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol
CID 93161280
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol?
The IUPAC name of 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol (CID 24713400) is 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol.
What is the SMILES notation for 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol?
The canonical SMILES for 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol is C=CCCC(O)CN(CCCOC)Cc1cccs1.
What is the InChIKey of 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol?
The InChIKey is OOGWOIWMWRYHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-4-7-14(17)12-16(9-6-10-18-2)13-15-8-5-11-19-15/h3,5,8,11,14,17H,1,4,6-7,9-10,12-13H2,2H3.
What are the key properties of 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol?
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol has a molecular weight of 283.44 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol is sourced from PubChem (CID 24713400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).