2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid

C14H31N3O8S2 — CID 87217926

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
SMILESO=S(=O)(O)CCN1CCN(CCO)CC1.O=S(=O)(O)CCN1CCOCC1
InChIInChI=1S/C8H18N2O4S.C6H13NO4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;8-12(9,10)6-3-7-1-4-11-5-2-7/h11H,1-8H2,(H,12,13,14);1-6H2,(H,8,9,10)
InChIKeyMOSMAIBAOSWGAN-UHFFFAOYSA-N
MW433.55 g/mol
LogP-2.31
Rot. Bonds8

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid

2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid (PubChem CID 87217926) has the molecular formula C14H31N3O8S2 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
PubChem CID87217926
Molecular FormulaC14H31N3O8S2
Molecular Weight433.55 g/mol
Exact Mass433.16
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
SMILESO=S(=O)(O)CCN1CCN(CCO)CC1.O=S(=O)(O)CCN1CCOCC1
InChIInChI=1S/C8H18N2O4S.C6H13NO4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;8-12(9,10)6-3-7-1-4-11-5-2-7/h11H,1-8H2,(H,12,13,14);1-6H2,(H,8,9,10)
InChIKeyMOSMAIBAOSWGAN-UHFFFAOYSA-N
XLogP-2.31
TPSA147.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;dihydrochloride
CID 172776492
bis(2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid);dihydrochloride
CID 173116081
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-sulfanylethanol
CID 87984514
acetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 162316861
sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 45157594
CID 88531629
CID 88531629
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid
CID 132598884
sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
2-[2-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid
CID 87289348
hydrazine;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid
CID 21484546
propane-1-sulfonic acid;4-propylmorpholine
CID 118072968

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid (CID 87217926) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid is O=S(=O)(O)CCN1CCN(CCO)CC1.O=S(=O)(O)CCN1CCOCC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid?
The InChIKey is MOSMAIBAOSWGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S.C6H13NO4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;8-12(9,10)6-3-7-1-4-11-5-2-7/h11H,1-8H2,(H,12,13,14);1-6H2,(H,8,9,10).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid?
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid has a molecular weight of 433.55 g/mol, XLogP of -2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid is sourced from PubChem (CID 87217926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).