2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid

C12H23NO5S — CID 82183293

IUPAC2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid
SMILESCCC(CC)(C(=O)O)S(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C12H23NO5S/c1-3-12(4-2,11(14)15)19(16,17)10-7-13-5-8-18-9-6-13/h3-10H2,1-2H3,(H,14,15)
InChIKeyULPNMRRIFOHWIF-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.38
Rot. Bonds7

About 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid

2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid (PubChem CID 82183293) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid
PubChem CID82183293
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Name2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid
SMILESCCC(CC)(C(=O)O)S(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C12H23NO5S/c1-3-12(4-2,11(14)15)19(16,17)10-7-13-5-8-18-9-6-13/h3-10H2,1-2H3,(H,14,15)
InChIKeyULPNMRRIFOHWIF-UHFFFAOYSA-N
XLogP0.38
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid
CID 114994322
propane-1-sulfonic acid;4-propylmorpholine
CID 118072968
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
methyl 2-morpholin-4-ylethanesulfonate
CID 15145735
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 58855518
(2S)-2-(2,2-dimethylpropanoylamino)-2-ethyl-4-morpholin-4-ylbutanoic acid
CID 122454832
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
CID 87217926
3-morpholin-4-ylpentane-3-sulfonic acid
CID 141453973

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid?
The IUPAC name of 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid (CID 82183293) is 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid is CCC(CC)(C(=O)O)S(=O)(=O)CCN1CCOCC1.
What is the InChIKey of 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid?
The InChIKey is ULPNMRRIFOHWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-3-12(4-2,11(14)15)19(16,17)10-7-13-5-8-18-9-6-13/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid?
2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid has a molecular weight of 293.38 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid is sourced from PubChem (CID 82183293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).