(3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide

C12H19NO2S — CID 145227010

IUPAC(3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide
SMILESC[C@H]1CC[C@H](C2=CCCC=C2)S(=O)(=O)N1C
InChIInChI=1S/C12H19NO2S/c1-10-8-9-12(16(14,15)13(10)2)11-6-4-3-5-7-11/h4,6-7,10,12H,3,5,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyOVIIGIFEFHLAIE-CMPLNLGQSA-N
MW241.36 g/mol
LogP2.08
Rot. Bonds1

About (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide

(3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide (PubChem CID 145227010) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide
PubChem CID145227010
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name(3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide
SMILESC[C@H]1CC[C@H](C2=CCCC=C2)S(=O)(=O)N1C
InChIInChI=1S/C12H19NO2S/c1-10-8-9-12(16(14,15)13(10)2)11-6-4-3-5-7-11/h4,6-7,10,12H,3,5,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyOVIIGIFEFHLAIE-CMPLNLGQSA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 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 (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide?
The IUPAC name of (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide (CID 145227010) is (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide.
What is the SMILES notation for (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide?
The canonical SMILES for (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide is C[C@H]1CC[C@H](C2=CCCC=C2)S(=O)(=O)N1C.
What is the InChIKey of (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide?
The InChIKey is OVIIGIFEFHLAIE-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10-8-9-12(16(14,15)13(10)2)11-6-4-3-5-7-11/h4,6-7,10,12H,3,5,8-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide?
(3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide has a molecular weight of 241.36 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylthiazinane 1,1-dioxide is sourced from PubChem (CID 145227010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).