6-methyl-4-propan-2-ylideneoxathiazine

C7H11NOS — CID 123143924

IUPAC6-methyl-4-propan-2-ylideneoxathiazine
SMILESCC1=CC(=C(C)C)NSO1
InChIInChI=1S/C7H11NOS/c1-5(2)7-4-6(3)9-10-8-7/h4,8H,1-3H3
InChIKeyHJHAMVFTVSYNDZ-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.37
Rot. Bonds

About 6-methyl-4-propan-2-ylideneoxathiazine

6-methyl-4-propan-2-ylideneoxathiazine (PubChem CID 123143924) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 6-methyl-4-propan-2-ylideneoxathiazine.

Molecular Properties

Compound Name6-methyl-4-propan-2-ylideneoxathiazine
PubChem CID123143924
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name6-methyl-4-propan-2-ylideneoxathiazine
SMILESCC1=CC(=C(C)C)NSO1
InChIInChI=1S/C7H11NOS/c1-5(2)7-4-6(3)9-10-8-7/h4,8H,1-3H3
InChIKeyHJHAMVFTVSYNDZ-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-ylideneoxathiazine?
The IUPAC name of 6-methyl-4-propan-2-ylideneoxathiazine (CID 123143924) is 6-methyl-4-propan-2-ylideneoxathiazine.
What is the SMILES notation for 6-methyl-4-propan-2-ylideneoxathiazine?
The canonical SMILES for 6-methyl-4-propan-2-ylideneoxathiazine is CC1=CC(=C(C)C)NSO1.
What is the InChIKey of 6-methyl-4-propan-2-ylideneoxathiazine?
The InChIKey is HJHAMVFTVSYNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)7-4-6(3)9-10-8-7/h4,8H,1-3H3.
What are the key properties of 6-methyl-4-propan-2-ylideneoxathiazine?
6-methyl-4-propan-2-ylideneoxathiazine has a molecular weight of 157.24 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-ylideneoxathiazine is sourced from PubChem (CID 123143924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).