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

C11H21NS — CID 146492253

IUPAC6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCC(C)C1=C(C(C)(C)C)SCCN1
InChIInChI=1S/C11H21NS/c1-8(2)9-10(11(3,4)5)13-7-6-12-9/h8,12H,6-7H2,1-5H3
InChIKeyRCFUGOKVVJQBIZ-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.24
Rot. Bonds1

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

6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 146492253) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
PubChem CID146492253
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCC(C)C1=C(C(C)(C)C)SCCN1
InChIInChI=1S/C11H21NS/c1-8(2)9-10(11(3,4)5)13-7-6-12-9/h8,12H,6-7H2,1-5H3
InChIKeyRCFUGOKVVJQBIZ-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine (CID 146492253) is 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine is CC(C)C1=C(C(C)(C)C)SCCN1.
What is the InChIKey of 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is RCFUGOKVVJQBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-8(2)9-10(11(3,4)5)13-7-6-12-9/h8,12H,6-7H2,1-5H3.
What are the key properties of 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 199.36 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 146492253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).