1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one

C10H19NO4S — CID 131889002

IUPAC1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one
SMILESC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H](C)O1
InChIInChI=1S/C10H19NO4S/c1-8-6-11(7-9(2)15-8)10(12)4-5-16(3,13)14/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyYWZODALXVMQYEI-DTORHVGOSA-N
MW249.33 g/mol
LogP0.06
Rot. Bonds3

About 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one (PubChem CID 131889002) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one
PubChem CID131889002
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one
SMILESC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H](C)O1
InChIInChI=1S/C10H19NO4S/c1-8-6-11(7-9(2)15-8)10(12)4-5-16(3,13)14/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyYWZODALXVMQYEI-DTORHVGOSA-N
XLogP0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylsulfonylpropan-1-one
CID 113284794
1-(3-aminopyrrolidin-1-yl)-3-methylsulfonylpropan-1-one
CID 62068727
3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
CID 61003211
1-[6-(4-methylpiperazine-1-carbonyl)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-3-methylsulfonylpropan-1-one
CID 131684083
1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
CID 51076738
6-amino-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylhexan-1-one
CID 65293281
1-(3-methylsulfonylpropanoyl)piperidin-4-one
CID 164545442

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one (CID 131889002) is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one is C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H](C)O1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one?
The InChIKey is YWZODALXVMQYEI-DTORHVGOSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8-6-11(7-9(2)15-8)10(12)4-5-16(3,13)14/h8-9H,4-7H2,1-3H3/t8-,9+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one?
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one has a molecular weight of 249.33 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 131889002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).