methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate

C13H26N2O5S — CID 79765314

IUPACmethyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate
SMILESCCCN(CCC)S(=O)(=O)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C13H26N2O5S/c1-4-6-14(7-5-2)21(17,18)15-8-9-20-12(11-15)10-13(16)19-3/h12H,4-11H2,1-3H3
InChIKeyRXODEMDUYDKXSH-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.62
Rot. Bonds8

About methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate

methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate (PubChem CID 79765314) has the molecular formula C13H26N2O5S and a molecular weight of 322.43 g/mol. Its IUPAC name is methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate
PubChem CID79765314
Molecular FormulaC13H26N2O5S
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Namemethyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate
SMILESCCCN(CCC)S(=O)(=O)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C13H26N2O5S/c1-4-6-14(7-5-2)21(17,18)15-8-9-20-12(11-15)10-13(16)19-3/h12H,4-11H2,1-3H3
InChIKeyRXODEMDUYDKXSH-UHFFFAOYSA-N
XLogP0.62
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate
CID 115678021
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid
CID 66435370
methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 54942106
methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate
CID 79764305
methyl 2-[4-(2,5-dimethylthiophen-3-yl)sulfonylmorpholin-2-yl]acetate
CID 79765579
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate
CID 79823412
methyl 2-[4-(5-bromo-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]acetate
CID 79931537
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid
CID 114462839

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate (CID 79765314) is methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate is CCCN(CCC)S(=O)(=O)N1CCOC(CC(=O)OC)C1.
What is the InChIKey of methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate?
The InChIKey is RXODEMDUYDKXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S/c1-4-6-14(7-5-2)21(17,18)15-8-9-20-12(11-15)10-13(16)19-3/h12H,4-11H2,1-3H3.
What are the key properties of methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate?
methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate has a molecular weight of 322.43 g/mol, XLogP of 0.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79765314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).