4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

C13H22N4O3S — CID 128970585

IUPAC4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCc1nc(S(=O)(=O)N2CCOC3CCN(C)CC32)cn1C
InChIInChI=1S/C13H22N4O3S/c1-10-14-13(9-16(10)3)21(18,19)17-6-7-20-12-4-5-15(2)8-11(12)17/h9,11-12H,4-8H2,1-3H3
InChIKeyCWOGQPYLBXWXRA-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.18
Rot. Bonds2

About 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 128970585) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID128970585
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCc1nc(S(=O)(=O)N2CCOC3CCN(C)CC32)cn1C
InChIInChI=1S/C13H22N4O3S/c1-10-14-13(9-16(10)3)21(18,19)17-6-7-20-12-4-5-15(2)8-11(12)17/h9,11-12H,4-8H2,1-3H3
InChIKeyCWOGQPYLBXWXRA-UHFFFAOYSA-N
XLogP-0.18
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine with MolForge

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Related Compounds

(4aS,8aR)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129491399
(4aS,8aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129491400
(4aR,8aR)-4-(2-fluoro-4-methylphenyl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129484722
(4aS,8aR)-4-(5-fluoro-2-methylphenyl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129485397
1-(1,2-dimethylimidazol-4-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680710
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
CID 95167565
5-[[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]sulfonyl]-2-fluorobenzonitrile
CID 129485083
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
CID 79541603
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (CID 128970585) is 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is Cc1nc(S(=O)(=O)N2CCOC3CCN(C)CC32)cn1C.
What is the InChIKey of 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is CWOGQPYLBXWXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-10-14-13(9-16(10)3)21(18,19)17-6-7-20-12-4-5-15(2)8-11(12)17/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 314.41 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylimidazol-4-yl)sulfonyl-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 128970585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).