4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol

C13H21NO2S — CID 103785508

IUPAC4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
SMILESCOCC(CCO)NC1CCCc2sccc21
InChIInChI=1S/C13H21NO2S/c1-16-9-10(5-7-15)14-12-3-2-4-13-11(12)6-8-17-13/h6,8,10,12,14-15H,2-5,7,9H2,1H3
InChIKeyOYHNMTVWOONUIH-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.11
Rot. Bonds6

About 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol

4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol (PubChem CID 103785508) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
PubChem CID103785508
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
SMILESCOCC(CCO)NC1CCCc2sccc21
InChIInChI=1S/C13H21NO2S/c1-16-9-10(5-7-15)14-12-3-2-4-13-11(12)6-8-17-13/h6,8,10,12,14-15H,2-5,7,9H2,1H3
InChIKeyOYHNMTVWOONUIH-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-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

4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 114210469
(2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 103922414
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-4-methoxybutan-1-ol
CID 114151388
4-methoxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-1-ol
CID 103785520
4-methoxy-3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butan-1-ol
CID 103785509
methyl 3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butanoate
CID 55121918
3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentanenitrile
CID 62842678
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]phenol
CID 62841470
2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol
CID 81419452
3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
N-(6,6,6-trifluorohexan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 116534761
3-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-methoxybutan-1-ol
CID 103785521

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol (CID 103785508) is 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol is COCC(CCO)NC1CCCc2sccc21.
What is the InChIKey of 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
The InChIKey is OYHNMTVWOONUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-16-9-10(5-7-15)14-12-3-2-4-13-11(12)6-8-17-13/h6,8,10,12,14-15H,2-5,7,9H2,1H3.
What are the key properties of 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol has a molecular weight of 255.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol is sourced from PubChem (CID 103785508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).