5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine

C8H15NS — CID 89041216

IUPAC5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCC1=C(C(C)C)SCCN1
InChIInChI=1S/C8H15NS/c1-6(2)8-7(3)9-4-5-10-8/h6,9H,4-5H2,1-3H3
InChIKeySDYQMGBGVGKPCR-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.21
Rot. Bonds1

About 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine

5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 89041216) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
PubChem CID89041216
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCC1=C(C(C)C)SCCN1
InChIInChI=1S/C8H15NS/c1-6(2)8-7(3)9-4-5-10-8/h6,9H,4-5H2,1-3H3
InChIKeySDYQMGBGVGKPCR-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine (CID 89041216) is 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine is CC1=C(C(C)C)SCCN1.
What is the InChIKey of 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is SDYQMGBGVGKPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)8-7(3)9-4-5-10-8/h6,9H,4-5H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 157.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 89041216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).