2,2-dimethyl-6-pentan-3-yl-1,4-thiazine

C11H19NS — CID 123862947

IUPAC2,2-dimethyl-6-pentan-3-yl-1,4-thiazine
SMILESCCC(CC)C1=CN=CC(C)(C)S1
InChIInChI=1S/C11H19NS/c1-5-9(6-2)10-7-12-8-11(3,4)13-10/h7-9H,5-6H2,1-4H3
InChIKeyMBOSRQAYRZUKFO-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.86
Rot. Bonds3

About 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine

2,2-dimethyl-6-pentan-3-yl-1,4-thiazine (PubChem CID 123862947) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine.

Molecular Properties

Compound Name2,2-dimethyl-6-pentan-3-yl-1,4-thiazine
PubChem CID123862947
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2,2-dimethyl-6-pentan-3-yl-1,4-thiazine
SMILESCCC(CC)C1=CN=CC(C)(C)S1
InChIInChI=1S/C11H19NS/c1-5-9(6-2)10-7-12-8-11(3,4)13-10/h7-9H,5-6H2,1-4H3
InChIKeyMBOSRQAYRZUKFO-UHFFFAOYSA-N
XLogP3.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine
CID 91602588
2,2-Dimethyl-6-propan-2-yl-1,4-thiazine
CID 123393749
N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine
CID 126746555
4-(2-Ethylsulfanylethyl)-3,4-dihydropyridine
CID 143418346
2,2-Dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine
CID 144552425
CID 145694185
CID 145694185
2-methyl-6-pentan-3-yl-2H-1,4-thiazine
CID 145694186

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine?
The IUPAC name of 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine (CID 123862947) is 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine.
What is the SMILES notation for 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine?
The canonical SMILES for 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine is CCC(CC)C1=CN=CC(C)(C)S1.
What is the InChIKey of 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine?
The InChIKey is MBOSRQAYRZUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-9(6-2)10-7-12-8-11(3,4)13-10/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine?
2,2-dimethyl-6-pentan-3-yl-1,4-thiazine has a molecular weight of 197.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-pentan-3-yl-1,4-thiazine is sourced from PubChem (CID 123862947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).