2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol

C10H15NOS — CID 71670955

IUPAC2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol
SMILESOCCNCc1csc2c1CCC2
InChIInChI=1S/C10H15NOS/c12-5-4-11-6-8-7-13-10-3-1-2-9(8)10/h7,11-12H,1-6H2
InChIKeyIDCMEMBBKPFXBG-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.32
Rot. Bonds4

About 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol

2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol (PubChem CID 71670955) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol
PubChem CID71670955
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol
SMILESOCCNCc1csc2c1CCC2
InChIInChI=1S/C10H15NOS/c12-5-4-11-6-8-7-13-10-3-1-2-9(8)10/h7,11-12H,1-6H2
InChIKeyIDCMEMBBKPFXBG-UHFFFAOYSA-N
XLogP1.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol (CID 71670955) is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol is OCCNCc1csc2c1CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol?
The InChIKey is IDCMEMBBKPFXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c12-5-4-11-6-8-7-13-10-3-1-2-9(8)10/h7,11-12H,1-6H2.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol?
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol has a molecular weight of 197.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethylamino)ethanol is sourced from PubChem (CID 71670955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).