(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one

C9H18N2O2S — CID 69154222

IUPAC(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCCSC[C@H](N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O2S/c1-2-14-7-8(10)9(12)11-3-5-13-6-4-11/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyUWRUKWGFVULUEZ-QMMMGPOBSA-N
MW218.32 g/mol
LogP-0.07
Rot. Bonds4

About (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one

(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 69154222) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID69154222
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCCSC[C@H](N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O2S/c1-2-14-7-8(10)9(12)11-3-5-13-6-4-11/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyUWRUKWGFVULUEZ-QMMMGPOBSA-N
XLogP-0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383077
4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
3-(Morpholine-4-carbonyl)-1,4-thiazepan-5-one
CID 71798001
2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
CID 56801877
N-methyl-2-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-ylpropanamide
CID 84592447
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 82908720
N-[2-(2,2,2-trifluoroethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82916411
N-[2-(2,2-difluoroethoxy)ethyl]thiomorpholine-3-carboxamide
CID 105910299
1-Morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
CID 116615752
4-(1,3-Thiazolidine-4-carbonyl)morpholine
CID 20074032
N-(1-morpholin-4-ylpropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 45823733
1-(3-(Morpholinomethyl)-1,4-thiazepan-4-yl)propan-1-one
CID 71801846

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one (CID 69154222) is (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one is CCSC[C@H](N)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is UWRUKWGFVULUEZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-14-7-8(10)9(12)11-3-5-13-6-4-11/h8H,2-7,10H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one?
(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 218.32 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 69154222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).