(1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

C14H25NO4S — CID 58283411

IUPAC(1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCC1(OC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C14H25NO4S/c1-14(6-3-2-4-7-14)19-13(16)5-8-15-9-11-20(17,18)12-10-15/h2-12H2,1H3
InChIKeyRQJXTROKUDLXNA-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.37
Rot. Bonds4

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

(1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (PubChem CID 58283411) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.

Molecular Properties

Compound Name(1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
PubChem CID58283411
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name(1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCC1(OC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C14H25NO4S/c1-14(6-3-2-4-7-14)19-13(16)5-8-15-9-11-20(17,18)12-10-15/h2-12H2,1H3
InChIKeyRQJXTROKUDLXNA-UHFFFAOYSA-N
XLogP1.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate 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 (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The IUPAC name of (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (CID 58283411) is (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.
What is the SMILES notation for (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The canonical SMILES for (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is CC1(OC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The InChIKey is RQJXTROKUDLXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-14(6-3-2-4-7-14)19-13(16)5-8-15-9-11-20(17,18)12-10-15/h2-12H2,1H3.
What are the key properties of (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
(1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate has a molecular weight of 303.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is sourced from PubChem (CID 58283411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).