2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

C14H25NO4S — CID 80519367

IUPAC2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
SMILESCCC1CCCC(N2CCS(=O)(=O)CC2CC(=O)O)C1
InChIInChI=1S/C14H25NO4S/c1-2-11-4-3-5-12(8-11)15-6-7-20(18,19)10-13(15)9-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyXAJMVQVCKUBPGZ-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.53
Rot. Bonds4

About 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid (PubChem CID 80519367) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
PubChem CID80519367
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
SMILESCCC1CCCC(N2CCS(=O)(=O)CC2CC(=O)O)C1
InChIInChI=1S/C14H25NO4S/c1-2-11-4-3-5-12(8-11)15-6-7-20(18,19)10-13(15)9-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyXAJMVQVCKUBPGZ-UHFFFAOYSA-N
XLogP1.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid 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-4-yl)-4-methylcyclohexane-1-carboxylic acid
CID 55148048
2-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 63068455
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63068626
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63068798
1-(1,1-Dioxothian-4-yl)-3-propylpiperidine-3-carboxylic acid
CID 65068646
1-(1,1-Dioxothian-3-yl)-3-propylpiperidine-3-carboxylic acid
CID 65069075
2-[1-[(1,1-Dioxothian-4-yl)-methylamino]cyclohexyl]acetic acid
CID 65240688
2-[1-[(1,1-Dioxothian-3-yl)-methylamino]cyclohexyl]acetic acid
CID 65243200
2-[4-(3,3,5-Trimethylcyclohexyl)thiomorpholin-3-yl]acetic acid
CID 66420009
2-[4-(4-Propylcyclohexyl)thiomorpholin-3-yl]acetic acid
CID 66420203
2-[4-(5-Methylheptan-3-yl)thiomorpholin-3-yl]acetic acid
CID 66420395
2-[4-(5-Methyl-2-propan-2-ylcyclohexyl)thiomorpholin-3-yl]acetic acid
CID 66420590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid (CID 80519367) is 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid is CCC1CCCC(N2CCS(=O)(=O)CC2CC(=O)O)C1.
What is the InChIKey of 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid?
The InChIKey is XAJMVQVCKUBPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-2-11-4-3-5-12(8-11)15-6-7-20(18,19)10-13(15)9-14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid?
2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid has a molecular weight of 303.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethylcyclohexyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid is sourced from PubChem (CID 80519367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).