1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone

C15H27NO3S — CID 136532161

IUPAC1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCCC1(CC)CN(C(=O)CC2(O)CCCC2)CCS1=O
InChIInChI=1S/C15H27NO3S/c1-3-15(4-2)12-16(9-10-20(15)19)13(17)11-14(18)7-5-6-8-14/h18H,3-12H2,1-2H3
InChIKeyGVAUOVHSLGPQSN-UHFFFAOYSA-N
MW301.45 g/mol
LogP1.83
Rot. Bonds4

About 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone

1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 136532161) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone
PubChem CID136532161
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCCC1(CC)CN(C(=O)CC2(O)CCCC2)CCS1=O
InChIInChI=1S/C15H27NO3S/c1-3-15(4-2)12-16(9-10-20(15)19)13(17)11-14(18)7-5-6-8-14/h18H,3-12H2,1-2H3
InChIKeyGVAUOVHSLGPQSN-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone (CID 136532161) is 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone is CCC1(CC)CN(C(=O)CC2(O)CCCC2)CCS1=O.
What is the InChIKey of 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is GVAUOVHSLGPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-3-15(4-2)12-16(9-10-20(15)19)13(17)11-14(18)7-5-6-8-14/h18H,3-12H2,1-2H3.
What are the key properties of 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone?
1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 301.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 136532161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).