2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane

C11H26N2O4S — CID 145415858

IUPAC2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane
SMILESC.CN1CCC(N(CCO)CCS(=O)(=O)O)CC1
InChIInChI=1S/C10H22N2O4S.CH4/c1-11-4-2-10(3-5-11)12(6-8-13)7-9-17(14,15)16;/h10,13H,2-9H2,1H3,(H,14,15,16);1H4
InChIKeyGPRIEHMXOJZUHA-UHFFFAOYSA-N
MW282.41 g/mol
LogP-0.10
Rot. Bonds6

About 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane

2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane (PubChem CID 145415858) has the molecular formula C11H26N2O4S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane
PubChem CID145415858
Molecular FormulaC11H26N2O4S
Molecular Weight282.41 g/mol
Exact Mass282.16
IUPAC Name2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane
SMILESC.CN1CCC(N(CCO)CCS(=O)(=O)O)CC1
InChIInChI=1S/C10H22N2O4S.CH4/c1-11-4-2-10(3-5-11)12(6-8-13)7-9-17(14,15)16;/h10,13H,2-9H2,1H3,(H,14,15,16);1H4
InChIKeyGPRIEHMXOJZUHA-UHFFFAOYSA-N
XLogP-0.10
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Hepbs
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1-[4-(2-Hydroxyethyl)piperazin-1-yl]propane-2-sulfonic acid
CID 9942988
2-Hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid
CID 11816931
2-Morpholin-4-ylpentane-1-sulfonic acid
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Hexyl-bis(2-hydroxyethyl)-(3-sulfopropyl)azanium
CID 18689241
5-[Bis(2-hydroxyethyl)amino]pentane-1-sulfonic acid
CID 20545777
3-[4-(2-Hydroxyethyl)piperazin-2-yl]propane-1-sulfonic acid
CID 23166986
(S)-2-amino-3-hydroxy-propane-1-sulfonic acid (1-isopropyl-piperidin-4-yl)-amide
CID 66625195
2-[2-Hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
CID 68821540
2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 68821541

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane?
The IUPAC name of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane (CID 145415858) is 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane.
What is the SMILES notation for 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane?
The canonical SMILES for 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane is C.CN1CCC(N(CCO)CCS(=O)(=O)O)CC1.
What is the InChIKey of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane?
The InChIKey is GPRIEHMXOJZUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S.CH4/c1-11-4-2-10(3-5-11)12(6-8-13)7-9-17(14,15)16;/h10,13H,2-9H2,1H3,(H,14,15,16);1H4.
What are the key properties of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane?
2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane has a molecular weight of 282.41 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane is sourced from PubChem (CID 145415858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).