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

C14H25NO4S — CID 106664282

IUPAC2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid
SMILESCC1CC(C)(C)CC1N1CCS(=O)(=O)CC1CC(=O)O
InChIInChI=1S/C14H25NO4S/c1-10-7-14(2,3)8-12(10)15-4-5-20(18,19)9-11(15)6-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyGQJGNUYJTPDQHB-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.38
Rot. Bonds3

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

2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid (PubChem CID 106664282) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid
PubChem CID106664282
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid
SMILESCC1CC(C)(C)CC1N1CCS(=O)(=O)CC1CC(=O)O
InChIInChI=1S/C14H25NO4S/c1-10-7-14(2,3)8-12(10)15-4-5-20(18,19)9-11(15)6-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyGQJGNUYJTPDQHB-UHFFFAOYSA-N
XLogP1.38
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid?
The IUPAC name of 2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid (CID 106664282) is 2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid.
What is the SMILES notation for 2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid?
The canonical SMILES for 2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid is CC1CC(C)(C)CC1N1CCS(=O)(=O)CC1CC(=O)O.
What is the InChIKey of 2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid?
The InChIKey is GQJGNUYJTPDQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-10-7-14(2,3)8-12(10)15-4-5-20(18,19)9-11(15)6-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid?
2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid has a molecular weight of 303.42 g/mol, XLogP of 1.38, 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-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid is sourced from PubChem (CID 106664282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).