2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone

C16H25N3O4S — CID 129332865

IUPAC2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
SMILESCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)COC2CCCCC2)cn1
InChIInChI=1S/C16H25N3O4S/c1-18-10-13(9-17-18)15-12-24(21,22)8-7-19(15)16(20)11-23-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3/t15-/m0/s1
InChIKeyLLGQMDKESPHIBP-HNNXBMFYSA-N
MW355.46 g/mol
LogP1.07
Rot. Bonds4

About 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone

2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone (PubChem CID 129332865) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
PubChem CID129332865
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
SMILESCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)COC2CCCCC2)cn1
InChIInChI=1S/C16H25N3O4S/c1-18-10-13(9-17-18)15-12-24(21,22)8-7-19(15)16(20)11-23-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3/t15-/m0/s1
InChIKeyLLGQMDKESPHIBP-HNNXBMFYSA-N
XLogP1.07
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone (CID 129332865) is 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone is Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)COC2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
The InChIKey is LLGQMDKESPHIBP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-18-10-13(9-17-18)15-12-24(21,22)8-7-19(15)16(20)11-23-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone has a molecular weight of 355.46 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone is sourced from PubChem (CID 129332865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).