4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide

C12H23NO2S — CID 58283517

IUPAC4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C12H23NO2S/c14-16(15)10-8-13(9-11-16)7-6-12-4-2-1-3-5-12/h12H,1-11H2
InChIKeyOFAYFFGWASNSJS-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.69
Rot. Bonds3

About 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide

4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 58283517) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID58283517
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C12H23NO2S/c14-16(15)10-8-13(9-11-16)7-6-12-4-2-1-3-5-12/h12H,1-11H2
InChIKeyOFAYFFGWASNSJS-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide 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 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide (CID 58283517) is 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CCC2CCCCC2)CC1.
What is the InChIKey of 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is OFAYFFGWASNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c14-16(15)10-8-13(9-11-16)7-6-12-4-2-1-3-5-12/h12H,1-11H2.
What are the key properties of 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide?
4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 245.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).