methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate

C10H20N2O5S — CID 54940579

IUPACmethyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O5S/c1-11(5-3-4-10(13)16-2)18(14,15)12-6-8-17-9-7-12/h3-9H2,1-2H3
InChIKeyGPFOKUPHTZBQQH-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.55
Rot. Bonds6

About methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate

methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate (PubChem CID 54940579) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate
PubChem CID54940579
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Namemethyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O5S/c1-11(5-3-4-10(13)16-2)18(14,15)12-6-8-17-9-7-12/h3-9H2,1-2H3
InChIKeyGPFOKUPHTZBQQH-UHFFFAOYSA-N
XLogP-0.55
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-methylamino]butanoate
CID 94400725
methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate
CID 51075470
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate
CID 81096925
methyl 3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl-methylamino]propanoate
CID 107271341
N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
CID 55627629
methyl 3-[methyl-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]amino]propanoate
CID 106313446
methyl 4-[methyl(trifluoromethylsulfonyl)amino]butanoate
CID 55208594
methyl 3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 120777156
methyl 3-[(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-methylamino]propanoate
CID 120778948
methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate
CID 102685193
methyl 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate (CID 54940579) is methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)N1CCOCC1.
What is the InChIKey of methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate?
The InChIKey is GPFOKUPHTZBQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-11(5-3-4-10(13)16-2)18(14,15)12-6-8-17-9-7-12/h3-9H2,1-2H3.
What are the key properties of methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate?
methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate has a molecular weight of 280.35 g/mol, XLogP of -0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate is sourced from PubChem (CID 54940579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).