2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one

C11H22N2O5S — CID 102932507

IUPAC2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
SMILESCC1CN(C(=O)C(N)CCS(C)(=O)=O)CC(CO)O1
InChIInChI=1S/C11H22N2O5S/c1-8-5-13(6-9(7-14)18-8)11(15)10(12)3-4-19(2,16)17/h8-10,14H,3-7,12H2,1-2H3
InChIKeyOBVYNBYHNOEHOJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP-1.64
Rot. Bonds5

About 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one

2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one (PubChem CID 102932507) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
PubChem CID102932507
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
SMILESCC1CN(C(=O)C(N)CCS(C)(=O)=O)CC(CO)O1
InChIInChI=1S/C11H22N2O5S/c1-8-5-13(6-9(7-14)18-8)11(15)10(12)3-4-19(2,16)17/h8-10,14H,3-7,12H2,1-2H3
InChIKeyOBVYNBYHNOEHOJ-UHFFFAOYSA-N
XLogP-1.64
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102932547
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpentan-1-one
CID 102932545
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one
CID 102932657
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
2-amino-4-methylsulfonyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536852
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methylsulfonylbutan-1-one
CID 81464234
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
5-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpentan-1-one
CID 102932727
2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 24709913
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one (CID 102932507) is 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one is CC1CN(C(=O)C(N)CCS(C)(=O)=O)CC(CO)O1.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one?
The InChIKey is OBVYNBYHNOEHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-8-5-13(6-9(7-14)18-8)11(15)10(12)3-4-19(2,16)17/h8-10,14H,3-7,12H2,1-2H3.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one?
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one has a molecular weight of 294.37 g/mol, XLogP of -1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one is sourced from PubChem (CID 102932507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).