3-amino-1-thiophen-2-ylbutan-1-ol

C8H13NOS — CID 66989084

IUPAC3-amino-1-thiophen-2-ylbutan-1-ol
SMILESCC(N)CC(O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,6-7,10H,5,9H2,1H3
InChIKeyMLZPXVVKOVENGJ-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.52
Rot. Bonds3

About 3-amino-1-thiophen-2-ylbutan-1-ol

3-amino-1-thiophen-2-ylbutan-1-ol (PubChem CID 66989084) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 3-amino-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-amino-1-thiophen-2-ylbutan-1-ol
PubChem CID66989084
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name3-amino-1-thiophen-2-ylbutan-1-ol
SMILESCC(N)CC(O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,6-7,10H,5,9H2,1H3
InChIKeyMLZPXVVKOVENGJ-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 3-amino-1-thiophen-2-ylbutan-1-ol (CID 66989084) is 3-amino-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 3-amino-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 3-amino-1-thiophen-2-ylbutan-1-ol is CC(N)CC(O)c1cccs1.
What is the InChIKey of 3-amino-1-thiophen-2-ylbutan-1-ol?
The InChIKey is MLZPXVVKOVENGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,6-7,10H,5,9H2,1H3.
What are the key properties of 3-amino-1-thiophen-2-ylbutan-1-ol?
3-amino-1-thiophen-2-ylbutan-1-ol has a molecular weight of 171.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 66989084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).