3-(methylamino)-1-thiophen-2-ylpropan-1-ol

C8H13NOS — CID 10214420

IUPAC3-(methylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCNCCC(O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyYEJVVFOJMOHFRL-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.39
Rot. Bonds4

About 3-(methylamino)-1-thiophen-2-ylpropan-1-ol

3-(methylamino)-1-thiophen-2-ylpropan-1-ol (PubChem CID 10214420) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 3-(methylamino)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-1-thiophen-2-ylpropan-1-ol
PubChem CID10214420
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name3-(methylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCNCCC(O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyYEJVVFOJMOHFRL-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(methylamino)-1-thiophen-2-ylpropan-1-ol (CID 10214420) is 3-(methylamino)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(methylamino)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(methylamino)-1-thiophen-2-ylpropan-1-ol is CNCCC(O)c1cccs1.
What is the InChIKey of 3-(methylamino)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is YEJVVFOJMOHFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3.
What are the key properties of 3-(methylamino)-1-thiophen-2-ylpropan-1-ol?
3-(methylamino)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 171.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 10214420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).