trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol

C11H17NOS — CID 102733418

IUPACtrans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
SMILESCC(N[C@H]1CCC[C@@H]1O)c1ccsc1
InChIInChI=1S/C11H17NOS/c1-8(9-5-6-14-7-9)12-10-3-2-4-11(10)13/h5-8,10-13H,2-4H2,1H3/t8?,10-,11-/m0/s1
InChIKeyYUIYHRVNAYYHOX-CSUXEGHOSA-N
MW211.33 g/mol
LogP2.31
Rot. Bonds3

About trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol (PubChem CID 102733418) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
PubChem CID102733418
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Nametrans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
SMILESCC(N[C@H]1CCC[C@@H]1O)c1ccsc1
InChIInChI=1S/C11H17NOS/c1-8(9-5-6-14-7-9)12-10-3-2-4-11(10)13/h5-8,10-13H,2-4H2,1H3/t8?,10-,11-/m0/s1
InChIKeyYUIYHRVNAYYHOX-CSUXEGHOSA-N
XLogP2.31
TPSA32.26 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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol (CID 102733418) is trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol is CC(N[C@H]1CCC[C@@H]1O)c1ccsc1.
What is the InChIKey of trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol?
The InChIKey is YUIYHRVNAYYHOX-CSUXEGHOSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(9-5-6-14-7-9)12-10-3-2-4-11(10)13/h5-8,10-13H,2-4H2,1H3/t8?,10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).