2-butan-2-yl-6,6-dimethyl-1,3-thiazine

C10H17NS — CID 138527718

IUPAC2-butan-2-yl-6,6-dimethyl-1,3-thiazine
SMILESCCC(C)C1=NC=CC(C)(C)S1
InChIInChI=1S/C10H17NS/c1-5-8(2)9-11-7-6-10(3,4)12-9/h6-8H,5H2,1-4H3
InChIKeyGKTTZYVURLKCEB-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.47
Rot. Bonds2

About 2-butan-2-yl-6,6-dimethyl-1,3-thiazine

2-butan-2-yl-6,6-dimethyl-1,3-thiazine (PubChem CID 138527718) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-butan-2-yl-6,6-dimethyl-1,3-thiazine.

Molecular Properties

Compound Name2-butan-2-yl-6,6-dimethyl-1,3-thiazine
PubChem CID138527718
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-butan-2-yl-6,6-dimethyl-1,3-thiazine
SMILESCCC(C)C1=NC=CC(C)(C)S1
InChIInChI=1S/C10H17NS/c1-5-8(2)9-11-7-6-10(3,4)12-9/h6-8H,5H2,1-4H3
InChIKeyGKTTZYVURLKCEB-UHFFFAOYSA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6,6-dimethyl-1,3-thiazine?
The IUPAC name of 2-butan-2-yl-6,6-dimethyl-1,3-thiazine (CID 138527718) is 2-butan-2-yl-6,6-dimethyl-1,3-thiazine.
What is the SMILES notation for 2-butan-2-yl-6,6-dimethyl-1,3-thiazine?
The canonical SMILES for 2-butan-2-yl-6,6-dimethyl-1,3-thiazine is CCC(C)C1=NC=CC(C)(C)S1.
What is the InChIKey of 2-butan-2-yl-6,6-dimethyl-1,3-thiazine?
The InChIKey is GKTTZYVURLKCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-5-8(2)9-11-7-6-10(3,4)12-9/h6-8H,5H2,1-4H3.
What are the key properties of 2-butan-2-yl-6,6-dimethyl-1,3-thiazine?
2-butan-2-yl-6,6-dimethyl-1,3-thiazine has a molecular weight of 183.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6,6-dimethyl-1,3-thiazine is sourced from PubChem (CID 138527718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).