2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone

C9H18N2O4S2 — CID 79478289

IUPAC2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)COCCN
InChIInChI=1S/C9H18N2O4S2/c1-17(13,14)9-7-16-5-3-11(9)8(12)6-15-4-2-10/h9H,2-7,10H2,1H3
InChIKeySMMNARXJPAIKCY-UHFFFAOYSA-N
MW282.39 g/mol
LogP-1.09
Rot. Bonds5

About 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone

2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone (PubChem CID 79478289) has the molecular formula C9H18N2O4S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
PubChem CID79478289
Molecular FormulaC9H18N2O4S2
Molecular Weight282.39 g/mol
Exact Mass282.07
IUPAC Name2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)COCCN
InChIInChI=1S/C9H18N2O4S2/c1-17(13,14)9-7-16-5-3-11(9)8(12)6-15-4-2-10/h9H,2-7,10H2,1H3
InChIKeySMMNARXJPAIKCY-UHFFFAOYSA-N
XLogP-1.09
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid
CID 66384334
3-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 66384162
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one
CID 82688884
3-(3-methylsulfonylthiomorpholin-4-yl)-3-oxopropanethioamide
CID 66384218
4-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66383779
2-[2-[(3-methylsulfonylthiomorpholine-4-carbonyl)amino]ethoxy]acetic acid
CID 79463963
2-(2-aminophenoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66381773
4-amino-2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 80544886
2-[1-(aminomethyl)cyclobutyl]-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 81168313
(3S)-3-(aminomethyl)-5-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-1-one
CID 66384023

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone (CID 79478289) is 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone is CS(=O)(=O)C1CSCCN1C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The InChIKey is SMMNARXJPAIKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S2/c1-17(13,14)9-7-16-5-3-11(9)8(12)6-15-4-2-10/h9H,2-7,10H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone has a molecular weight of 282.39 g/mol, XLogP of -1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 79478289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).