trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol

C11H21NOS — CID 102733755

IUPACtrans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1NCC1CCCCS1
InChIInChI=1S/C11H21NOS/c13-11-6-3-5-10(11)12-8-9-4-1-2-7-14-9/h9-13H,1-8H2/t9?,10-,11-/m1/s1
InChIKeyBTFKGDWAUMMJCC-FHZGLPGMSA-N
MW215.36 g/mol
LogP1.78
Rot. Bonds3

About trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol (PubChem CID 102733755) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol
PubChem CID102733755
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Nametrans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1NCC1CCCCS1
InChIInChI=1S/C11H21NOS/c13-11-6-3-5-10(11)12-8-9-4-1-2-7-14-9/h9-13H,1-8H2/t9?,10-,11-/m1/s1
InChIKeyBTFKGDWAUMMJCC-FHZGLPGMSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol (CID 102733755) is trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1NCC1CCCCS1.
What is the InChIKey of trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol?
The InChIKey is BTFKGDWAUMMJCC-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H21NOS/c13-11-6-3-5-10(11)12-8-9-4-1-2-7-14-9/h9-13H,1-8H2/t9?,10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).