4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one

C16H21NO2S — CID 84615366

IUPAC4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one
SMILESCC(O)c1ccc2c(c1)SCC(=O)N2C1CCCCC1
InChIInChI=1S/C16H21NO2S/c1-11(18)12-7-8-14-15(9-12)20-10-16(19)17(14)13-5-3-2-4-6-13/h7-9,11,13,18H,2-6,10H2,1H3
InChIKeyYKNPPDXAQACJQS-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.51
Rot. Bonds2

About 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one

4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one (PubChem CID 84615366) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one
PubChem CID84615366
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one
SMILESCC(O)c1ccc2c(c1)SCC(=O)N2C1CCCCC1
InChIInChI=1S/C16H21NO2S/c1-11(18)12-7-8-14-15(9-12)20-10-16(19)17(14)13-5-3-2-4-6-13/h7-9,11,13,18H,2-6,10H2,1H3
InChIKeyYKNPPDXAQACJQS-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one?
The IUPAC name of 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one (CID 84615366) is 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one?
The canonical SMILES for 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one is CC(O)c1ccc2c(c1)SCC(=O)N2C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one?
The InChIKey is YKNPPDXAQACJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-11(18)12-7-8-14-15(9-12)20-10-16(19)17(14)13-5-3-2-4-6-13/h7-9,11,13,18H,2-6,10H2,1H3.
What are the key properties of 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one?
4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one has a molecular weight of 291.42 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).