1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol

C10H19NO2S — CID 65213159

IUPAC1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
SMILESO=S1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C10H19NO2S/c12-10(3-1-2-4-10)9-11-5-7-14(13)8-6-11/h12H,1-9H2
InChIKeyOPZVVRFANPOMSK-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.36
Rot. Bonds2

About 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol

1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol (PubChem CID 65213159) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
PubChem CID65213159
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
SMILESO=S1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C10H19NO2S/c12-10(3-1-2-4-10)9-11-5-7-14(13)8-6-11/h12H,1-9H2
InChIKeyOPZVVRFANPOMSK-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol (CID 65213159) is 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol is O=S1CCN(CC2(O)CCCC2)CC1.
What is the InChIKey of 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is OPZVVRFANPOMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-10(3-1-2-4-10)9-11-5-7-14(13)8-6-11/h12H,1-9H2.
What are the key properties of 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol?
1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 217.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65213159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).