trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol

C8H15NO3S — CID 102735087

IUPACtrans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol
SMILESO=S1(=O)CCCN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C8H15NO3S/c10-8-4-1-3-7(8)9-5-2-6-13(9,11)12/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeyCHNFQEQGBYBFSD-YUMQZZPRSA-N
MW205.28 g/mol
LogP-0.06
Rot. Bonds1

About trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol (PubChem CID 102735087) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol
PubChem CID102735087
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Nametrans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol
SMILESO=S1(=O)CCCN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C8H15NO3S/c10-8-4-1-3-7(8)9-5-2-6-13(9,11)12/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeyCHNFQEQGBYBFSD-YUMQZZPRSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol (CID 102735087) is trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol is O=S1(=O)CCCN1[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol?
The InChIKey is CHNFQEQGBYBFSD-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO3S/c10-8-4-1-3-7(8)9-5-2-6-13(9,11)12/h7-8,10H,1-6H2/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol has a molecular weight of 205.28 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 102735087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).