2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone

C17H27N3O4S — CID 129334262

IUPAC2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
SMILESCCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)COC2CCCCC2)cn1
InChIInChI=1S/C17H27N3O4S/c1-2-19-11-14(10-18-19)16-13-25(22,23)9-8-20(16)17(21)12-24-15-6-4-3-5-7-15/h10-11,15-16H,2-9,12-13H2,1H3/t16-/m1/s1
InChIKeyNICHYNMDVFOIAO-MRXNPFEDSA-N
MW369.49 g/mol
LogP1.55
Rot. Bonds5

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

2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone (PubChem CID 129334262) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
PubChem CID129334262
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
SMILESCCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)COC2CCCCC2)cn1
InChIInChI=1S/C17H27N3O4S/c1-2-19-11-14(10-18-19)16-13-25(22,23)9-8-20(16)17(21)12-24-15-6-4-3-5-7-15/h10-11,15-16H,2-9,12-13H2,1H3/t16-/m1/s1
InChIKeyNICHYNMDVFOIAO-MRXNPFEDSA-N
XLogP1.55
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone (CID 129334262) is 2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone is CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)COC2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
The InChIKey is NICHYNMDVFOIAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-2-19-11-14(10-18-19)16-13-25(22,23)9-8-20(16)17(21)12-24-15-6-4-3-5-7-15/h10-11,15-16H,2-9,12-13H2,1H3/t16-/m1/s1.
What are the key properties of 2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone has a molecular weight of 369.49 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]ethanone is sourced from PubChem (CID 129334262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).