2,4-dimethyl-1,4-thiazinane 1,1-dioxide

C6H13NO2S — CID 14953862

IUPAC2,4-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(C)CCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6-5-7(2)3-4-10(6,8)9/h6H,3-5H2,1-2H3
InChIKeyBRLGRFWNLDGSGP-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.26
Rot. Bonds

About 2,4-dimethyl-1,4-thiazinane 1,1-dioxide

2,4-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 14953862) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2,4-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,4-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID14953862
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2,4-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(C)CCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6-5-7(2)3-4-10(6,8)9/h6H,3-5H2,1-2H3
InChIKeyBRLGRFWNLDGSGP-UHFFFAOYSA-N
XLogP-0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2,4-dimethyl-1,4-thiazinane 1,1-dioxide (CID 14953862) is 2,4-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2,4-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2,4-dimethyl-1,4-thiazinane 1,1-dioxide is CC1CN(C)CCS1(=O)=O.
What is the InChIKey of 2,4-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is BRLGRFWNLDGSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6-5-7(2)3-4-10(6,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,4-thiazinane 1,1-dioxide?
2,4-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 14953862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).