4-tert-butyl-1,4-thiazinane 1,1-dioxide

C8H17NO2S — CID 11127102

IUPAC4-tert-butyl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S/c1-8(2,3)9-4-6-12(10,11)7-5-9/h4-7H2,1-3H3
InChIKeyIJQKHSMNGHTCIP-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.52
Rot. Bonds

About 4-tert-butyl-1,4-thiazinane 1,1-dioxide

4-tert-butyl-1,4-thiazinane 1,1-dioxide (PubChem CID 11127102) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-tert-butyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-tert-butyl-1,4-thiazinane 1,1-dioxide
PubChem CID11127102
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-tert-butyl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S/c1-8(2,3)9-4-6-12(10,11)7-5-9/h4-7H2,1-3H3
InChIKeyIJQKHSMNGHTCIP-UHFFFAOYSA-N
XLogP0.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-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

Thiomorpholine, 4-methyl-, 1,1-dioxide
CID 91413
4-Propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 2806243
4-Butylthiomorpholine-1,1-dioxide
CID 10987084
4,4-Dimethyl-1,4-thiazinan-4-ium 1,1-dioxide
CID 423310
(2R)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide
CID 168260894
(2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide
CID 169127633
4-(2-Fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 130612831
4-(2-Fluoroethyl)-2,6-dimethyl-1lambda6-thiomorpholine-1,1-dione
CID 130625891
4-(2-Fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 130650415
4-(3-Fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 130679287
4-Pentan-3-yl-1,4-thiazinane 1,1-dioxide
CID 4353598
1-Butyl-2,2,6,6-tetramethyl-1-aza-4-thiacyclohexane-4,4-dioxide
CID 13709807

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-tert-butyl-1,4-thiazinane 1,1-dioxide (CID 11127102) is 4-tert-butyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-tert-butyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-tert-butyl-1,4-thiazinane 1,1-dioxide is CC(C)(C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-tert-butyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is IJQKHSMNGHTCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,3)9-4-6-12(10,11)7-5-9/h4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1,4-thiazinane 1,1-dioxide?
4-tert-butyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 11127102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).