2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide

C14H26N2O3S — CID 80520811

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide
SMILESCCC1CCCC(NC(=O)CC2CS(=O)(=O)CCN2)C1
InChIInChI=1S/C14H26N2O3S/c1-2-11-4-3-5-12(8-11)16-14(17)9-13-10-20(18,19)7-6-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyQUIPYKQVCDNRIE-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.85
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide (PubChem CID 80520811) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide
PubChem CID80520811
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide
SMILESCCC1CCCC(NC(=O)CC2CS(=O)(=O)CCN2)C1
InChIInChI=1S/C14H26N2O3S/c1-2-11-4-3-5-12(8-11)16-14(17)9-13-10-20(18,19)7-6-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyQUIPYKQVCDNRIE-UHFFFAOYSA-N
XLogP0.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 80520208
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 80520122
N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518479
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956
N-(1-cyclopropylpyrrolidin-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520231
N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107842832
N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 103461661
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 80519686
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
N-(1,1-dioxothiolan-3-yl)-2-piperidin-2-ylacetamide
CID 43151243
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide
CID 80520256

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide (CID 80520811) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide is CCC1CCCC(NC(=O)CC2CS(=O)(=O)CCN2)C1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide?
The InChIKey is QUIPYKQVCDNRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-11-4-3-5-12(8-11)16-14(17)9-13-10-20(18,19)7-6-15-13/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide has a molecular weight of 302.44 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 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)-N-(3-ethylcyclohexyl)acetamide is sourced from PubChem (CID 80520811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).