2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine

C12H21NS — CID 91070409

IUPAC2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine
SMILESCCCC1(C)C=CN=C(C(C)CC)S1
InChIInChI=1S/C12H21NS/c1-5-7-12(4)8-9-13-11(14-12)10(3)6-2/h8-10H,5-7H2,1-4H3
InChIKeyWNOVPBYUGFKJHF-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.25
Rot. Bonds4

About 2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine

2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine (PubChem CID 91070409) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine.

Molecular Properties

Compound Name2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine
PubChem CID91070409
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine
SMILESCCCC1(C)C=CN=C(C(C)CC)S1
InChIInChI=1S/C12H21NS/c1-5-7-12(4)8-9-13-11(14-12)10(3)6-2/h8-10H,5-7H2,1-4H3
InChIKeyWNOVPBYUGFKJHF-UHFFFAOYSA-N
XLogP4.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(2-methylprop-2-enyl)-3-prop-2-enyl-2-prop-2-enylsulfanyl-3,4-dihydropyridine
CID 135040542
4-Methyl-2-methylsulfanyl-3,4-dihydropyridine
CID 68102666
N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine
CID 90893189
tert-butyl N-[(Z)-3,4,4-trimethylpent-1-enyl]propanimidothioate
CID 123558721
2-Ethyl-6,6-dimethyl-1,3-thiazine
CID 138510788
2-Butan-2-yl-6,6-dimethyl-1,3-thiazine
CID 138527718

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine?
The IUPAC name of 2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine (CID 91070409) is 2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine.
What is the SMILES notation for 2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine?
The canonical SMILES for 2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine is CCCC1(C)C=CN=C(C(C)CC)S1.
What is the InChIKey of 2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine?
The InChIKey is WNOVPBYUGFKJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-5-7-12(4)8-9-13-11(14-12)10(3)6-2/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine?
2-butan-2-yl-6-methyl-6-propyl-1,3-thiazine has a molecular weight of 211.37 g/mol, XLogP of 4.25, 4 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-methyl-6-propyl-1,3-thiazine is sourced from PubChem (CID 91070409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).