4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole

C15H24N2O2S2 — CID 127619911

IUPAC4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole
SMILESCc1nc(S(=O)(=O)N2CC3(C)CC2CC(C)(C)C3)sc1C
InChIInChI=1S/C15H24N2O2S2/c1-10-11(2)20-13(16-10)21(18,19)17-9-15(5)7-12(17)6-14(3,4)8-15/h12H,6-9H2,1-5H3
InChIKeyMJRLYKVUEQJBFM-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.35
Rot. Bonds2

About 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole

4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole (PubChem CID 127619911) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole
PubChem CID127619911
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole
SMILESCc1nc(S(=O)(=O)N2CC3(C)CC2CC(C)(C)C3)sc1C
InChIInChI=1S/C15H24N2O2S2/c1-10-11(2)20-13(16-10)21(18,19)17-9-15(5)7-12(17)6-14(3,4)8-15/h12H,6-9H2,1-5H3
InChIKeyMJRLYKVUEQJBFM-UHFFFAOYSA-N
XLogP3.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole with MolForge

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Related Compounds

6-(benzenesulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 60639753
(1S,5S)-6-(benzenesulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 124544612
6-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 60745905
4-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]aniline
CID 50936527
(1R,5S)-6-(2,5-dimethylphenyl)sulfonyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 11917039
6-(3-bromothiophen-2-yl)sulfonyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 61074304
6-(2-chloro-6-methylphenyl)sulfonyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 58446724
6-(chloromethylsulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 63664527
4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoic acid
CID 3705367
4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoate
CID 2310299
3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]aniline
CID 98044379
1,3,3-trimethyl-6-(4-phenoxyphenyl)sulfonyl-6-azabicyclo[3.2.1]octane
CID 25191707

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole (CID 127619911) is 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole is Cc1nc(S(=O)(=O)N2CC3(C)CC2CC(C)(C)C3)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole?
The InChIKey is MJRLYKVUEQJBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-10-11(2)20-13(16-10)21(18,19)17-9-15(5)7-12(17)6-14(3,4)8-15/h12H,6-9H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole?
4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole has a molecular weight of 328.50 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1,3-thiazole is sourced from PubChem (CID 127619911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).