4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol

C13H21NO2S — CID 114210469

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

About 4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol

4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol (PubChem CID 114210469) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
PubChem CID114210469
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
SMILESCOCCC(CO)NC1CCCc2sccc21
InChIInChI=1S/C13H21NO2S/c1-16-7-5-10(9-15)14-12-3-2-4-13-11(12)6-8-17-13/h6,8,10,12,14-15H,2-5,7,9H2,1H3
InChIKeyUJOGCCCNYWIGFY-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-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol with MolForge

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Related Compounds

4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 103785508
(2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 103922414
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
4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 114210431
N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842628
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
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-4-methoxybutan-1-ol
CID 114151388
N-(6,6,6-trifluorohexan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 116534761
N-[(1R)-1-cyclopentylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81393881

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
The IUPAC name of 4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol (CID 114210469) is 4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol is COCCC(CO)NC1CCCc2sccc21.
What is the InChIKey of 4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
The InChIKey is UJOGCCCNYWIGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-16-7-5-10(9-15)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-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
4-methoxy-2-(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-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol is sourced from PubChem (CID 114210469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).