2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one

C11H22N2O4S — CID 54905141

IUPAC2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
SMILESCC(NCCCS(C)(=O)=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O4S/c1-10(12-4-3-9-18(2,15)16)11(14)13-5-7-17-8-6-13/h10,12H,3-9H2,1-2H3
InChIKeyFBBICKWOFDPDSX-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.74
Rot. Bonds6

About 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one

2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one (PubChem CID 54905141) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
PubChem CID54905141
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
SMILESCC(NCCCS(C)(=O)=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O4S/c1-10(12-4-3-9-18(2,15)16)11(14)13-5-7-17-8-6-13/h10,12H,3-9H2,1-2H3
InChIKeyFBBICKWOFDPDSX-UHFFFAOYSA-N
XLogP-0.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
CID 107703595
2-[3-(2-methylpropoxy)propylamino]-1-morpholin-4-ylpropan-1-one
CID 103605790
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 107446064
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115569816
2-(2-methylpentylamino)-1-morpholin-4-ylpropan-1-one
CID 113352721
N,N-diethyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanamide
CID 115588983
1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one
CID 106325630
2-hydroxy-2-methyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 104645019
2-(2-morpholin-4-ylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083600
(2R)-2-[(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 83194331
2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 63318437
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one (CID 54905141) is 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one is CC(NCCCS(C)(=O)=O)C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is FBBICKWOFDPDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-10(12-4-3-9-18(2,15)16)11(14)13-5-7-17-8-6-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one?
2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 278.37 g/mol, XLogP of -0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 54905141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).