5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine

C15H29NS — CID 23552399

IUPAC5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine
SMILESCCCN1CSC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C15H29NS/c1-8-9-16-10-12(14(2,3)4)13(17-11-16)15(5,6)7/h8-11H2,1-7H3
InChIKeyDLIDYLCPGGFWTH-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.75
Rot. Bonds2

About 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine

5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine (PubChem CID 23552399) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine.

Molecular Properties

Compound Name5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine
PubChem CID23552399
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine
SMILESCCCN1CSC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C15H29NS/c1-8-9-16-10-12(14(2,3)4)13(17-11-16)15(5,6)7/h8-11H2,1-7H3
InChIKeyDLIDYLCPGGFWTH-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-Butyl-5,6-ditert-butyl-2,4-dihydro-1,3-thiazine
CID 21060990
1,5-dimethyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345779
1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345780

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine?
The IUPAC name of 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine (CID 23552399) is 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine.
What is the SMILES notation for 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine?
The canonical SMILES for 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine is CCCN1CSC(C(C)(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine?
The InChIKey is DLIDYLCPGGFWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-8-9-16-10-12(14(2,3)4)13(17-11-16)15(5,6)7/h8-11H2,1-7H3.
What are the key properties of 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine?
5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine has a molecular weight of 255.47 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine is sourced from PubChem (CID 23552399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).