3-tert-butyl-2H-thiazine 1,1-dioxide

C8H13NO2S — CID 20804991

IUPAC3-tert-butyl-2H-thiazine 1,1-dioxide
SMILESCC(C)(C)C1=CC=CS(=O)(=O)N1
InChIInChI=1S/C8H13NO2S/c1-8(2,3)7-5-4-6-12(10,11)9-7/h4-6,9H,1-3H3
InChIKeyKJGNGUKKFGOHPZ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.36
Rot. Bonds

About 3-tert-butyl-2H-thiazine 1,1-dioxide

3-tert-butyl-2H-thiazine 1,1-dioxide (PubChem CID 20804991) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-tert-butyl-2H-thiazine 1,1-dioxide.

Molecular Properties

Compound Name3-tert-butyl-2H-thiazine 1,1-dioxide
PubChem CID20804991
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-tert-butyl-2H-thiazine 1,1-dioxide
SMILESCC(C)(C)C1=CC=CS(=O)(=O)N1
InChIInChI=1S/C8H13NO2S/c1-8(2,3)7-5-4-6-12(10,11)9-7/h4-6,9H,1-3H3
InChIKeyKJGNGUKKFGOHPZ-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2H-thiazine 1,1-dioxide?
The IUPAC name of 3-tert-butyl-2H-thiazine 1,1-dioxide (CID 20804991) is 3-tert-butyl-2H-thiazine 1,1-dioxide.
What is the SMILES notation for 3-tert-butyl-2H-thiazine 1,1-dioxide?
The canonical SMILES for 3-tert-butyl-2H-thiazine 1,1-dioxide is CC(C)(C)C1=CC=CS(=O)(=O)N1.
What is the InChIKey of 3-tert-butyl-2H-thiazine 1,1-dioxide?
The InChIKey is KJGNGUKKFGOHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-8(2,3)7-5-4-6-12(10,11)9-7/h4-6,9H,1-3H3.
What are the key properties of 3-tert-butyl-2H-thiazine 1,1-dioxide?
3-tert-butyl-2H-thiazine 1,1-dioxide has a molecular weight of 187.26 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2H-thiazine 1,1-dioxide is sourced from PubChem (CID 20804991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).