ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate

C9H19N3O5S — CID 114465185

IUPACethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCOC(CNC)C1
InChIInChI=1S/C9H19N3O5S/c1-3-16-9(13)11-18(14,15)12-4-5-17-8(7-12)6-10-2/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyJZLSLIUBCMRLCO-UHFFFAOYSA-N
MW281.33 g/mol
LogP-1.10
Rot. Bonds5

About ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate

ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate (PubChem CID 114465185) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate
PubChem CID114465185
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Nameethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCOC(CNC)C1
InChIInChI=1S/C9H19N3O5S/c1-3-16-9(13)11-18(14,15)12-4-5-17-8(7-12)6-10-2/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyJZLSLIUBCMRLCO-UHFFFAOYSA-N
XLogP-1.10
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid
CID 114462839
ethyl N-[(1,3-dioxo-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridin-5-yl)sulfonyl]carbamate
CID 114463033
methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate
CID 115678021
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
ethyl N-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]carbamate
CID 114465316
[7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid
CID 170435077
1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 114462628
[(7S)-7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid
CID 170435075
cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate
CID 112738613
2-methyl-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]propan-1-one
CID 139553521
cyclopropyl-[(2S)-2-(methylaminomethyl)morpholin-4-yl]methanone
CID 166684105
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate?
The IUPAC name of ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate (CID 114465185) is ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate.
What is the SMILES notation for ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate?
The canonical SMILES for ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate is CCOC(=O)NS(=O)(=O)N1CCOC(CNC)C1.
What is the InChIKey of ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate?
The InChIKey is JZLSLIUBCMRLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O5S/c1-3-16-9(13)11-18(14,15)12-4-5-17-8(7-12)6-10-2/h8,10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate?
ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate has a molecular weight of 281.33 g/mol, XLogP of -1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate is sourced from PubChem (CID 114465185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).