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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Related Compounds

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CID 125531123
CID 125531123
CID 125531124
CID 125531124
CID 125531125
CID 125531125
CID 104180521
CID 104180521
CID 104574675
CID 104574675
CID 111331906
CID 111331906
CID 111430649
CID 111430649
CID 111520531
CID 111520531
CID 111538517
CID 111538517
CID 111539170
CID 111539170

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).