4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide

C10H20INOS — CID 44657089

IUPAC4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide
SMILESCC1CC(C)(C)N=C(SC(C)C)O1.I
InChIInChI=1S/C10H19NOS.HI/c1-7(2)13-9-11-10(4,5)6-8(3)12-9;/h7-8H,6H2,1-5H3;1H
InChIKeyDREUCURTSPQHGK-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.69
Rot. Bonds1

About 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide

4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide (PubChem CID 44657089) has the molecular formula C10H20INOS and a molecular weight of 329.25 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide.

Molecular Properties

Compound Name4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide
PubChem CID44657089
Molecular FormulaC10H20INOS
Molecular Weight329.25 g/mol
Exact Mass329.03
IUPAC Name4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide
SMILESCC1CC(C)(C)N=C(SC(C)C)O1.I
InChIInChI=1S/C10H19NOS.HI/c1-7(2)13-9-11-10(4,5)6-8(3)12-9;/h7-8H,6H2,1-5H3;1H
InChIKeyDREUCURTSPQHGK-UHFFFAOYSA-N
XLogP3.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(6R)-2,4,4,6-tetramethyl-5,6-dihydro-1,3-oxazine
CID 7004113
1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol
CID 130123661
1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone
CID 12524252
[fluoro-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)methyl]-triphenylphosphanium bromide
CID 71600740
2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 134864013
4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride
CID 3055513
2-[(1R,3R)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-3-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)cyclopropyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 101234030
4,4,6-trimethyl-2-(1-phenylethenyl)-5,6-dihydro-1,3-oxazine
CID 14810340
[2-methylidene-4-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)butyl] acetate
CID 14822574
5-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 15503981
5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole
CID 167495202
(3S,8S)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 706401

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide?
The IUPAC name of 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide (CID 44657089) is 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide.
What is the SMILES notation for 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide?
The canonical SMILES for 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide is CC1CC(C)(C)N=C(SC(C)C)O1.I.
What is the InChIKey of 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide?
The InChIKey is DREUCURTSPQHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS.HI/c1-7(2)13-9-11-10(4,5)6-8(3)12-9;/h7-8H,6H2,1-5H3;1H.
What are the key properties of 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide?
4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide has a molecular weight of 329.25 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide is sourced from PubChem (CID 44657089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).