1-(thiophen-3-ylmethylamino)propan-2-ol

C8H13NOS — CID 4723843

IUPAC1-(thiophen-3-ylmethylamino)propan-2-ol
SMILESCC(O)CNCc1ccsc1
InChIInChI=1S/C8H13NOS/c1-7(10)4-9-5-8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyBYPIMGZLSKQIJM-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.22
Rot. Bonds4

About 1-(thiophen-3-ylmethylamino)propan-2-ol

1-(thiophen-3-ylmethylamino)propan-2-ol (PubChem CID 4723843) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(thiophen-3-ylmethylamino)propan-2-ol
PubChem CID4723843
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name1-(thiophen-3-ylmethylamino)propan-2-ol
SMILESCC(O)CNCc1ccsc1
InChIInChI=1S/C8H13NOS/c1-7(10)4-9-5-8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyBYPIMGZLSKQIJM-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(thiophen-3-ylmethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(thiophen-3-ylmethylamino)propan-2-ol (CID 4723843) is 1-(thiophen-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(thiophen-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(thiophen-3-ylmethylamino)propan-2-ol is CC(O)CNCc1ccsc1.
What is the InChIKey of 1-(thiophen-3-ylmethylamino)propan-2-ol?
The InChIKey is BYPIMGZLSKQIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-7(10)4-9-5-8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3.
What are the key properties of 1-(thiophen-3-ylmethylamino)propan-2-ol?
1-(thiophen-3-ylmethylamino)propan-2-ol has a molecular weight of 171.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 4723843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).