methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate

C11H22N2O5S — CID 115315305

IUPACmethyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C11H22N2O5S/c1-9(12)10-8-13(5-6-18-10)19(15,16)7-3-4-11(14)17-2/h9-10H,3-8,12H2,1-2H3
InChIKeyRLCGHVPFOPGAID-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.68
Rot. Bonds6

About methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate

methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate (PubChem CID 115315305) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate.

Molecular Properties

Compound Namemethyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate
PubChem CID115315305
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Namemethyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C11H22N2O5S/c1-9(12)10-8-13(5-6-18-10)19(15,16)7-3-4-11(14)17-2/h9-10H,3-8,12H2,1-2H3
InChIKeyRLCGHVPFOPGAID-UHFFFAOYSA-N
XLogP-0.68
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(2-carbamothioylmorpholin-4-yl)sulfonylbutanoate
CID 79675025
methyl 3-(2-carbamothioylmorpholin-4-yl)sulfonylpropanoate
CID 79680830
methyl 4-(3-methylpyrrolidin-1-yl)sulfonylbutanoate
CID 61460356
methyl 4-[(2R)-2-propan-2-ylthiomorpholin-4-yl]sulfonylbutanoate
CID 124886387
methyl 4-(4-sulfamoylpiperazin-1-yl)sulfonylbutanoate
CID 61457490
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
CID 54952481
2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
CID 114816234
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
2-(1-aminoethyl)-N-(2-methylpropyl)morpholine-4-sulfonamide
CID 114816233
methyl 4-(3-acetylpiperidin-1-yl)sulfonylbutanoate
CID 63852603
2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 115315266

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate?
The IUPAC name of methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate (CID 115315305) is methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate.
What is the SMILES notation for methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate?
The canonical SMILES for methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate is COC(=O)CCCS(=O)(=O)N1CCOC(C(C)N)C1.
What is the InChIKey of methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate?
The InChIKey is RLCGHVPFOPGAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-9(12)10-8-13(5-6-18-10)19(15,16)7-3-4-11(14)17-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate?
methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate has a molecular weight of 294.37 g/mol, XLogP of -0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate is sourced from PubChem (CID 115315305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).