2-tert-butyl-5,6-dihydro-4H-1,3-thiazine

C8H15NS — CID 59096673

IUPAC2-tert-butyl-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)(C)C1=NCCCS1
InChIInChI=1S/C8H15NS/c1-8(2,3)7-9-5-4-6-10-7/h4-6H2,1-3H3
InChIKeyKBPAOZXKPFJCNA-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.57
Rot. Bonds

About 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine

2-tert-butyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 59096673) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-tert-butyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID59096673
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-tert-butyl-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)(C)C1=NCCCS1
InChIInChI=1S/C8H15NS/c1-8(2,3)7-9-5-4-6-10-7/h4-6H2,1-3H3
InChIKeyKBPAOZXKPFJCNA-UHFFFAOYSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine (CID 59096673) is 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine is CC(C)(C)C1=NCCCS1.
What is the InChIKey of 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is KBPAOZXKPFJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-8(2,3)7-9-5-4-6-10-7/h4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine?
2-tert-butyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 157.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 59096673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).