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

C11H19NS — CID 155403873

IUPAC3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine
SMILESCC(C)C1=C(C(C)(C)C)NC=CS1
InChIInChI=1S/C11H19NS/c1-8(2)9-10(11(3,4)5)12-6-7-13-9/h6-8,12H,1-5H3
InChIKeyDQKPMVQGWHEDOL-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.71
Rot. Bonds1

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

3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine (PubChem CID 155403873) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine.

Molecular Properties

Compound Name3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine
PubChem CID155403873
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine
SMILESCC(C)C1=C(C(C)(C)C)NC=CS1
InChIInChI=1S/C11H19NS/c1-8(2)9-10(11(3,4)5)12-6-7-13-9/h6-8,12H,1-5H3
InChIKeyDQKPMVQGWHEDOL-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine?
The IUPAC name of 3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine (CID 155403873) is 3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine.
What is the SMILES notation for 3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine?
The canonical SMILES for 3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine is CC(C)C1=C(C(C)(C)C)NC=CS1.
What is the InChIKey of 3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine?
The InChIKey is DQKPMVQGWHEDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-8(2)9-10(11(3,4)5)12-6-7-13-9/h6-8,12H,1-5H3.
What are the key properties of 3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine?
3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine has a molecular weight of 197.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine is sourced from PubChem (CID 155403873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).