4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol

C13H25NO2S — CID 62610604

IUPAC4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C13H25NO2S/c1-2-11-3-4-13(15)12(9-11)10-14-5-7-17(16)8-6-14/h11-13,15H,2-10H2,1H3
InChIKeyBTCXSVIJIXMSAW-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.24
Rot. Bonds3

About 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol

4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol (PubChem CID 62610604) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
PubChem CID62610604
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C13H25NO2S/c1-2-11-3-4-13(15)12(9-11)10-14-5-7-17(16)8-6-14/h11-13,15H,2-10H2,1H3
InChIKeyBTCXSVIJIXMSAW-UHFFFAOYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol (CID 62610604) is 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN2CCS(=O)CC2)C1.
What is the InChIKey of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is BTCXSVIJIXMSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-11-3-4-13(15)12(9-11)10-14-5-7-17(16)8-6-14/h11-13,15H,2-10H2,1H3.
What are the key properties of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 259.41 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 62610604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).