3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine

C16H20N2O3S — CID 154789646

IUPAC3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine
SMILESCC1(C)COCCN1S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C16H20N2O3S/c1-16(2)12-21-10-9-18(16)22(19,20)11-14-6-3-5-13-7-4-8-17-15(13)14/h3-8H,9-12H2,1-2H3
InChIKeyMNTJQIWFQNWBQA-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.18
Rot. Bonds3

About 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine

3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine (PubChem CID 154789646) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine
PubChem CID154789646
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine
SMILESCC1(C)COCCN1S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C16H20N2O3S/c1-16(2)12-21-10-9-18(16)22(19,20)11-14-6-3-5-13-7-4-8-17-15(13)14/h3-8H,9-12H2,1-2H3
InChIKeyMNTJQIWFQNWBQA-UHFFFAOYSA-N
XLogP2.18
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
CID 124695192
N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine
CID 78957176
3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 106545672
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-ol
CID 129472857
N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119977908
N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 124687354
N-[(1-methylcyclopentyl)methyl]-1-quinolin-8-ylmethanamine
CID 63821632
methyl 4-[(3,3-dimethylmorpholin-4-yl)sulfonylmethyl]benzoate
CID 122158043
3-(2-methylpropyl)-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one
CID 126776547
N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
CID 34787759

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine?
The IUPAC name of 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine (CID 154789646) is 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine.
What is the SMILES notation for 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine?
The canonical SMILES for 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine is CC1(C)COCCN1S(=O)(=O)Cc1cccc2cccnc12.
What is the InChIKey of 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine?
The InChIKey is MNTJQIWFQNWBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-16(2)12-21-10-9-18(16)22(19,20)11-14-6-3-5-13-7-4-8-17-15(13)14/h3-8H,9-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine?
3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine has a molecular weight of 320.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine is sourced from PubChem (CID 154789646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).