5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one

C11H22N2O3S2 — CID 82688884

IUPAC5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one
SMILESCC(CN)CCC(=O)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S2/c1-9(7-12)3-4-10(14)13-5-6-17-8-11(13)18(2,15)16/h9,11H,3-8,12H2,1-2H3
InChIKeyQIOQXJMIKUERER-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.31
Rot. Bonds5

About 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one

5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one (PubChem CID 82688884) has the molecular formula C11H22N2O3S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one
PubChem CID82688884
Molecular FormulaC11H22N2O3S2
Molecular Weight294.44 g/mol
Exact Mass294.11
IUPAC Name5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one
SMILESCC(CN)CCC(=O)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S2/c1-9(7-12)3-4-10(14)13-5-6-17-8-11(13)18(2,15)16/h9,11H,3-8,12H2,1-2H3
InChIKeyQIOQXJMIKUERER-UHFFFAOYSA-N
XLogP0.31
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
(3S)-3-(aminomethyl)-5-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-1-one
CID 66384023
3-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 66384162
(4R)-1-[(3R)-3-methylsulfonylthiomorpholin-4-yl]-4-phenylpentan-1-one
CID 129380735
4-amino-2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 80544886
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
4-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66383779
3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 106113099
2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 79478289
3-(3-methylsulfonylthiomorpholin-4-yl)-3-oxopropanethioamide
CID 66384218
2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid
CID 66384334
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107031839

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one?
The IUPAC name of 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one (CID 82688884) is 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one?
The canonical SMILES for 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one is CC(CN)CCC(=O)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one?
The InChIKey is QIOQXJMIKUERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S2/c1-9(7-12)3-4-10(14)13-5-6-17-8-11(13)18(2,15)16/h9,11H,3-8,12H2,1-2H3.
What are the key properties of 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one?
5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one has a molecular weight of 294.44 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 82688884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).