4-amino-1-thiophen-2-ylbutan-2-ol

C8H13NOS — CID 71778098

IUPAC4-amino-1-thiophen-2-ylbutan-2-ol
SMILESNCCC(O)Cc1cccs1
InChIInChI=1S/C8H13NOS/c9-4-3-7(10)6-8-2-1-5-11-8/h1-2,5,7,10H,3-4,6,9H2
InChIKeyWJIZAMJOVKJPPE-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.00
Rot. Bonds4

About 4-amino-1-thiophen-2-ylbutan-2-ol

4-amino-1-thiophen-2-ylbutan-2-ol (PubChem CID 71778098) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 4-amino-1-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1-thiophen-2-ylbutan-2-ol
PubChem CID71778098
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name4-amino-1-thiophen-2-ylbutan-2-ol
SMILESNCCC(O)Cc1cccs1
InChIInChI=1S/C8H13NOS/c9-4-3-7(10)6-8-2-1-5-11-8/h1-2,5,7,10H,3-4,6,9H2
InChIKeyWJIZAMJOVKJPPE-UHFFFAOYSA-N
XLogP1.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol
CID 63192447
4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol
CID 144920989
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
CID 121219027
3-(thiophen-2-ylmethylsulfinyl)butan-1-amine
CID 81195723

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-thiophen-2-ylbutan-2-ol?
The IUPAC name of 4-amino-1-thiophen-2-ylbutan-2-ol (CID 71778098) is 4-amino-1-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 4-amino-1-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 4-amino-1-thiophen-2-ylbutan-2-ol is NCCC(O)Cc1cccs1.
What is the InChIKey of 4-amino-1-thiophen-2-ylbutan-2-ol?
The InChIKey is WJIZAMJOVKJPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c9-4-3-7(10)6-8-2-1-5-11-8/h1-2,5,7,10H,3-4,6,9H2.
What are the key properties of 4-amino-1-thiophen-2-ylbutan-2-ol?
4-amino-1-thiophen-2-ylbutan-2-ol has a molecular weight of 171.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 71778098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).