4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine

C20H30N2O3S — CID 170738076

IUPAC4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CC3(CCC(N4CCOCC4)C3)C2)c(C)c1
InChIInChI=1S/C20H30N2O3S/c1-15-10-16(2)19(17(3)11-15)26(23,24)22-13-20(14-22)5-4-18(12-20)21-6-8-25-9-7-21/h10-11,18H,4-9,12-14H2,1-3H3
InChIKeyYHNOAHFACKDAQD-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.49
Rot. Bonds3

About 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine

4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine (PubChem CID 170738076) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
PubChem CID170738076
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CC3(CCC(N4CCOCC4)C3)C2)c(C)c1
InChIInChI=1S/C20H30N2O3S/c1-15-10-16(2)19(17(3)11-15)26(23,24)22-13-20(14-22)5-4-18(12-20)21-6-8-25-9-7-21/h10-11,18H,4-9,12-14H2,1-3H3
InChIKeyYHNOAHFACKDAQD-UHFFFAOYSA-N
XLogP2.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 170738148
4-[(6S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173548
4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173595
4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine
CID 170120954
7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 176889745
4-(8-methyl-8-azaspiro[4.5]decan-3-yl)morpholine
CID 170120812
3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]-1-azabicyclo[3.2.2]nonane
CID 146292817
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 26843191
4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine
CID 170119577
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-diazabicyclo[2.2.2]octane
CID 118314239

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?
The IUPAC name of 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine (CID 170738076) is 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine.
What is the SMILES notation for 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?
The canonical SMILES for 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine is Cc1cc(C)c(S(=O)(=O)N2CC3(CCC(N4CCOCC4)C3)C2)c(C)c1.
What is the InChIKey of 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?
The InChIKey is YHNOAHFACKDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-15-10-16(2)19(17(3)11-15)26(23,24)22-13-20(14-22)5-4-18(12-20)21-6-8-25-9-7-21/h10-11,18H,4-9,12-14H2,1-3H3.
What are the key properties of 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?
4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine has a molecular weight of 378.54 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine is sourced from PubChem (CID 170738076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).