4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide

C14H27NO2S — CID 58394776

IUPAC4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)C1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C14H27NO2S/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-18(16,17)11-9-15/h12-13H,4-11H2,1-3H3
InChIKeyUDUSGKJQNABWEA-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.32
Rot. Bonds1

About 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide

4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 58394776) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide
PubChem CID58394776
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)C1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C14H27NO2S/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-18(16,17)11-9-15/h12-13H,4-11H2,1-3H3
InChIKeyUDUSGKJQNABWEA-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butylcyclohexyl)-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

Related Compounds

4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid
CID 91007928
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
CID 71758395
4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine
CID 14553998
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine
CID 63632366
2-[4-(4-tert-butylcyclohexyl)-1,4-diazepan-1-yl]acetic acid
CID 65061452
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]butane-1,3-dione
CID 110183051
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
CID 2846303
4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 114763379

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide (CID 58394776) is 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide is CC(C)(C)C1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is UDUSGKJQNABWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-18(16,17)11-9-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide?
4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 273.44 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58394776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).