2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one

C12H24N2O3S — CID 137397368

IUPAC2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
SMILESCCOCNC(CCSC)C(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-3-16-10-13-11(4-9-18-2)12(15)14-5-7-17-8-6-14/h11,13H,3-10H2,1-2H3
InChIKeyURMJJZXAIREELL-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.55
Rot. Bonds8

About 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one

2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one (PubChem CID 137397368) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
PubChem CID137397368
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
SMILESCCOCNC(CCSC)C(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-3-16-10-13-11(4-9-18-2)12(15)14-5-7-17-8-6-14/h11,13H,3-10H2,1-2H3
InChIKeyURMJJZXAIREELL-UHFFFAOYSA-N
XLogP0.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
H-Sar-Sar-N(EtOMe)Gly-D-Met-NHMe
CID 134950127
2-[2-[2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433392
1-Morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
CID 116615752
DL-Methionyl glycine ethyl ester
CID 5095988
N-Acetylglycylmethionylglycine ethyl ester
CID 101618252
N-Acetyl-glycyl-methionyl-glycine ethylester
CID 134735206
(2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
CID 10082125
tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate
CID 10381224
N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide
CID 22610743
ethyl 2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetate
CID 22691877

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one (CID 137397368) is 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one is CCOCNC(CCSC)C(=O)N1CCOCC1.
What is the InChIKey of 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is URMJJZXAIREELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-16-10-13-11(4-9-18-2)12(15)14-5-7-17-8-6-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one?
2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 276.40 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 137397368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).