(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate

C14H25NO4S — CID 80518802

IUPAC(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
SMILESCC1CCC(OC(=O)CC2CS(=O)(=O)CCN2)CC1C
InChIInChI=1S/C14H25NO4S/c1-10-3-4-13(7-11(10)2)19-14(16)8-12-9-20(17,18)6-5-15-12/h10-13,15H,3-9H2,1-2H3
InChIKeyGCGBJTKIXJVVQM-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.13
Rot. Bonds3

About (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate

(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate (PubChem CID 80518802) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
PubChem CID80518802
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
SMILESCC1CCC(OC(=O)CC2CS(=O)(=O)CCN2)CC1C
InChIInChI=1S/C14H25NO4S/c1-10-3-4-13(7-11(10)2)19-14(16)8-12-9-20(17,18)6-5-15-12/h10-13,15H,3-9H2,1-2H3
InChIKeyGCGBJTKIXJVVQM-UHFFFAOYSA-N
XLogP1.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate with MolForge

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518970
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
CID 116595583
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
pentyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518817
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 80520117
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
1-(4-cyclopropyloxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 114520679
1-(1,1-dioxo-1,4-thiazinan-3-yl)dodecan-2-one
CID 116595448
1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one
CID 116595429
(3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate
CID 66434046

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate?
The IUPAC name of (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate (CID 80518802) is (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate is CC1CCC(OC(=O)CC2CS(=O)(=O)CCN2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate?
The InChIKey is GCGBJTKIXJVVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-10-3-4-13(7-11(10)2)19-14(16)8-12-9-20(17,18)6-5-15-12/h10-13,15H,3-9H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate?
(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate has a molecular weight of 303.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate is sourced from PubChem (CID 80518802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).