(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one

C10H19NO4S — CID 95153981

IUPAC(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one
SMILESCC[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO1
InChIInChI=1S/C10H19NO4S/c1-4-9-7-11(5-6-15-9)10(12)8(2)16(3,13)14/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyJTOVIIASAPDIMN-BDAKNGLRSA-N
MW249.33 g/mol
LogP0.06
Rot. Bonds3

About (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one

(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one (PubChem CID 95153981) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one
PubChem CID95153981
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one
SMILESCC[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO1
InChIInChI=1S/C10H19NO4S/c1-4-9-7-11(5-6-15-9)10(12)8(2)16(3,13)14/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyJTOVIIASAPDIMN-BDAKNGLRSA-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

2-ethylmorpholine-4-carboxylic acid
CID 121455686
(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one
CID 130485488
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
2-amino-1-(2-ethylmorpholin-4-yl)-3-methoxypropan-1-one;hydrochloride
CID 120984960
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670
(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one
CID 95154056
(1-aminocyclopropyl)-(2-ethylmorpholin-4-yl)methanone
CID 65466783
2-methyl-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]propan-1-one
CID 139553521
2-[4-(2-methylsulfonyl-3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 119247693
2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one
CID 104520399
2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61203036

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one (CID 95153981) is (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one is CC[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO1.
What is the InChIKey of (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one?
The InChIKey is JTOVIIASAPDIMN-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-4-9-7-11(5-6-15-9)10(12)8(2)16(3,13)14/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one?
(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-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 (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 95153981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).