2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone

C13H23NO3S — CID 116595583

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)CC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C13H23NO3S/c1-10-2-4-11(5-3-10)13(15)8-12-9-18(16,17)7-6-14-12/h10-12,14H,2-9H2,1H3
InChIKeyYUFKOPKDOSRURM-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.16
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone (PubChem CID 116595583) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
PubChem CID116595583
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)CC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C13H23NO3S/c1-10-2-4-11(5-3-10)13(15)8-12-9-18(16,17)7-6-14-12/h10-12,14H,2-9H2,1H3
InChIKeyYUFKOPKDOSRURM-UHFFFAOYSA-N
XLogP1.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520954
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone
CID 107138448
1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone
CID 116595823
propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518970
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-pyrrolidin-1-ylethanone
CID 80520589
1-(1,1-dioxo-1,4-thiazinan-3-yl)dodecan-2-one
CID 116595448
1-(1,1-dioxo-1,4-thiazinan-3-yl)-4-methylidenehexan-2-one
CID 116595616
(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518802
N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519883
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone (CID 116595583) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone is CC1CCC(C(=O)CC2CS(=O)(=O)CCN2)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone?
The InChIKey is YUFKOPKDOSRURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-10-2-4-11(5-3-10)13(15)8-12-9-18(16,17)7-6-14-12/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone has a molecular weight of 273.40 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone is sourced from PubChem (CID 116595583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).