10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid

C16H34N2O4S — CID 132598884

IUPAC10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCN1CCN(CCO)CC1
InChIInChI=1S/C16H34N2O4S/c19-15-14-18-12-10-17(11-13-18)9-7-5-3-1-2-4-6-8-16-23(20,21)22/h19H,1-16H2,(H,20,21,22)
InChIKeyGAOREGIZIUVMGI-UHFFFAOYSA-N
MW350.53 g/mol
LogP1.60
Rot. Bonds13

About 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid

10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid (PubChem CID 132598884) has the molecular formula C16H34N2O4S and a molecular weight of 350.53 g/mol. Its IUPAC name is 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid.

Molecular Properties

Compound Name10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid
PubChem CID132598884
Molecular FormulaC16H34N2O4S
Molecular Weight350.53 g/mol
Exact Mass350.22
IUPAC Name10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCN1CCN(CCO)CC1
InChIInChI=1S/C16H34N2O4S/c19-15-14-18-12-10-17(11-13-18)9-7-5-3-1-2-4-6-8-16-23(20,21)22/h19H,1-16H2,(H,20,21,22)
InChIKeyGAOREGIZIUVMGI-UHFFFAOYSA-N
XLogP1.60
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
acetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 162316861
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
CID 87217926
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-sulfanylethanol
CID 87984514
sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 45157594
CID 88531629
CID 88531629
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
10-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonic acid
CID 19700573
octane-1,8-disulfonic acid
CID 18172926

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid?
The IUPAC name of 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid (CID 132598884) is 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid.
What is the SMILES notation for 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid?
The canonical SMILES for 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCN1CCN(CCO)CC1.
What is the InChIKey of 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid?
The InChIKey is GAOREGIZIUVMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4S/c19-15-14-18-12-10-17(11-13-18)9-7-5-3-1-2-4-6-8-16-23(20,21)22/h19H,1-16H2,(H,20,21,22).
What are the key properties of 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid?
10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid has a molecular weight of 350.53 g/mol, XLogP of 1.60, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid is sourced from PubChem (CID 132598884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).