2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C15H27NO4S — CID 58283139

IUPAC2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCC(C)(OC(=O)CN1CCS(=O)(=O)CC1)C1CCCCC1
InChIInChI=1S/C15H27NO4S/c1-15(2,13-6-4-3-5-7-13)20-14(17)12-16-8-10-21(18,19)11-9-16/h13H,3-12H2,1-2H3
InChIKeyVQPUFTUJHLFUFB-UHFFFAOYSA-N
MW317.45 g/mol
LogP1.62
Rot. Bonds4

About 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 58283139) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID58283139
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Name2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCC(C)(OC(=O)CN1CCS(=O)(=O)CC1)C1CCCCC1
InChIInChI=1S/C15H27NO4S/c1-15(2,13-6-4-3-5-7-13)20-14(17)12-16-8-10-21(18,19)11-9-16/h13H,3-12H2,1-2H3
InChIKeyVQPUFTUJHLFUFB-UHFFFAOYSA-N
XLogP1.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 58283139) is 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is CC(C)(OC(=O)CN1CCS(=O)(=O)CC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is VQPUFTUJHLFUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c1-15(2,13-6-4-3-5-7-13)20-14(17)12-16-8-10-21(18,19)11-9-16/h13H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 317.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 58283139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).