trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol

C9H17NO2S — CID 102734534

IUPACtrans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol
SMILESO=S1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C9H17NO2S/c11-9-3-1-2-8(9)10-4-6-13(12)7-5-10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKeyCCZVYUWUKGCFTQ-RKDXNWHRSA-N
MW203.31 g/mol
LogP-0.04
Rot. Bonds1

About trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol (PubChem CID 102734534) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol
PubChem CID102734534
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nametrans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol
SMILESO=S1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C9H17NO2S/c11-9-3-1-2-8(9)10-4-6-13(12)7-5-10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKeyCCZVYUWUKGCFTQ-RKDXNWHRSA-N
XLogP-0.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol (CID 102734534) is trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol is O=S1CCN([C@@H]2CCC[C@H]2O)CC1.
What is the InChIKey of trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol?
The InChIKey is CCZVYUWUKGCFTQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-9-3-1-2-8(9)10-4-6-13(12)7-5-10/h8-9,11H,1-7H2/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol has a molecular weight of 203.31 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 102734534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).