6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane

C19H30N2O3S — CID 118308349

IUPAC6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)OC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O3S/c1-14-11-15(2)19(16(3)12-14)25(22,23)21-9-6-18(7-10-21)20-8-5-17(4)24-13-20/h11-12,17-18H,5-10,13H2,1-4H3
InChIKeyMFGODBJUGINSMT-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.83
Rot. Bonds3

About 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane

6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane (PubChem CID 118308349) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane.

Molecular Properties

Compound Name6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane
PubChem CID118308349
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)OC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O3S/c1-14-11-15(2)19(16(3)12-14)25(22,23)21-9-6-18(7-10-21)20-8-5-17(4)24-13-20/h11-12,17-18H,5-10,13H2,1-4H3
InChIKeyMFGODBJUGINSMT-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane with MolForge

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Related Compounds

1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]azepane
CID 118308375
4-Phenyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308393
4-Benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308406
3,5-Dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308408
1-(Mesitylsulfonyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 118308425
2-[1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]ethanol
CID 138627960
2,4,6-trimethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]benzenesulfonamide
CID 146627892
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
CID 146628071
4-(Mesitylsulfonyl)-8-(methylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384393
4-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 20975181

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane?
The IUPAC name of 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane (CID 118308349) is 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane.
What is the SMILES notation for 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane?
The canonical SMILES for 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)OC3)CC2)c(C)c1.
What is the InChIKey of 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane?
The InChIKey is MFGODBJUGINSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-14-11-15(2)19(16(3)12-14)25(22,23)21-9-6-18(7-10-21)20-8-5-17(4)24-13-20/h11-12,17-18H,5-10,13H2,1-4H3.
What are the key properties of 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane?
6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane has a molecular weight of 366.53 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazinane is sourced from PubChem (CID 118308349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).