6-methyl-2-methylsulfanylthiazinane 1,1-dioxide

C6H13NO2S2 — CID 167135270

IUPAC6-methyl-2-methylsulfanylthiazinane 1,1-dioxide
SMILESCSN1CCCC(C)S1(=O)=O
InChIInChI=1S/C6H13NO2S2/c1-6-4-3-5-7(10-2)11(6,8)9/h6H,3-5H2,1-2H3
InChIKeyIDJZHZZJCHXUKE-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.08
Rot. Bonds1

About 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide

6-methyl-2-methylsulfanylthiazinane 1,1-dioxide (PubChem CID 167135270) has the molecular formula C6H13NO2S2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name6-methyl-2-methylsulfanylthiazinane 1,1-dioxide
PubChem CID167135270
Molecular FormulaC6H13NO2S2
Molecular Weight195.31 g/mol
Exact Mass195.04
IUPAC Name6-methyl-2-methylsulfanylthiazinane 1,1-dioxide
SMILESCSN1CCCC(C)S1(=O)=O
InChIInChI=1S/C6H13NO2S2/c1-6-4-3-5-7(10-2)11(6,8)9/h6H,3-5H2,1-2H3
InChIKeyIDJZHZZJCHXUKE-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Ethylsulfonylpiperidine
CID 3418537
6-Methyl-1lambda6,2-thiazinane-1,1-dione
CID 54518329
1lambda6-Thia-2-azanidacyclohexane 1,1-dioxide
CID 59037492
2,6-Dimethylthiazinane 1,1-dioxide
CID 67891801
2-Ethyl-6-methylthiazinane 1,1-dioxide
CID 89546251
2-Iodothiazinane 1,1-dioxide
CID 118912719
N,N-dimethyl-1-sulfanylpiperidine-4-sulfonamide
CID 129091804
2-Sulfanylthiazinane 1,1-dioxide
CID 164042907
(6S)-2,6-dimethylthiazinane 1,1-dioxide
CID 164114487
1-(Methylsulfonyl)piperidine-4-sulfonyl chloride
CID 129320577
1-Methanesulfonylpiperidine-3-sulfonyl chloride
CID 131109268
2-(Methanesulfonyl)-1lambda~6~,2-thiazinane-1,1-dione
CID 165353018

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide?
The IUPAC name of 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide (CID 167135270) is 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide.
What is the SMILES notation for 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide?
The canonical SMILES for 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide is CSN1CCCC(C)S1(=O)=O.
What is the InChIKey of 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide?
The InChIKey is IDJZHZZJCHXUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S2/c1-6-4-3-5-7(10-2)11(6,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide?
6-methyl-2-methylsulfanylthiazinane 1,1-dioxide has a molecular weight of 195.31 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanylthiazinane 1,1-dioxide is sourced from PubChem (CID 167135270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).