4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide

C6H13NO2S2 — CID 147775285

IUPAC4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESCSCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO2S2/c1-10-6-7-2-4-11(8,9)5-3-7/h2-6H2,1H3
InChIKeyHGSIKNOCYDRHCQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.04
Rot. Bonds2

About 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide

4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 147775285) has the molecular formula C6H13NO2S2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID147775285
Molecular FormulaC6H13NO2S2
Molecular Weight195.31 g/mol
Exact Mass195.04
IUPAC Name4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESCSCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO2S2/c1-10-6-7-2-4-11(8,9)5-3-7/h2-6H2,1H3
InChIKeyHGSIKNOCYDRHCQ-UHFFFAOYSA-N
XLogP0.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiomorpholine, 4-methyl-, 1,1-dioxide
CID 91413
4,4-Dimethyl-1,4-thiazinan-4-ium1,1-dioxide,bromide
CID 3056932
4-Propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 2806243
4,4-Dimethyl-1,4-thiazinan-4-ium 1,1-dioxide
CID 423310
4-Methyl-1,4-thiazinane 1-oxide
CID 12386283
(2R)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide
CID 168260894
(2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide
CID 169127633
(3-Ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide
CID 66376974
Trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide
CID 66382857
4-(2-Fluoroethyl)-1lambda6-thiomorpholine-1,1-dione
CID 130718490
7DG4V8FT2H
CID 24193470
4-(Methylsulfonyl)thiomorpholine
CID 11309885

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide (CID 147775285) is 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide is CSCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is HGSIKNOCYDRHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S2/c1-10-6-7-2-4-11(8,9)5-3-7/h2-6H2,1H3.
What are the key properties of 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide?
4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 195.31 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 147775285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).