3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol

C11H17NOS — CID 65190411

IUPAC3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C11H17NOS/c1-7(6-12)11(13)10-5-8-3-2-4-9(8)14-10/h5,7,11,13H,2-4,6,12H2,1H3
InChIKeyAXSQRWWHLYMYPH-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol

3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol (PubChem CID 65190411) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol
PubChem CID65190411
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C11H17NOS/c1-7(6-12)11(13)10-5-8-3-2-4-9(8)14-10/h5,7,11,13H,2-4,6,12H2,1H3
InChIKeyAXSQRWWHLYMYPH-UHFFFAOYSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol (CID 65190411) is 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol is CC(CN)C(O)c1cc2c(s1)CCC2.
What is the InChIKey of 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol?
The InChIKey is AXSQRWWHLYMYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7(6-12)11(13)10-5-8-3-2-4-9(8)14-10/h5,7,11,13H,2-4,6,12H2,1H3.
What are the key properties of 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol?
3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 65190411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).