(2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid

C7H17NO6S — CID 7157234

IUPAC(2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid
SMILESO=S(=O)(O)C[C@H](O)CN(CCO)CCO
InChIInChI=1S/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)/t7-/m1/s1
InChIKeyXCBLFURAFHFFJF-SSDOTTSWSA-N
MW243.28 g/mol
LogP-2.48
Rot. Bonds8

About (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid

(2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid (PubChem CID 7157234) has the molecular formula C7H17NO6S and a molecular weight of 243.28 g/mol. Its IUPAC name is (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid
PubChem CID7157234
Molecular FormulaC7H17NO6S
Molecular Weight243.28 g/mol
Exact Mass243.08
IUPAC Name(2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid
SMILESO=S(=O)(O)C[C@H](O)CN(CCO)CCO
InChIInChI=1S/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)/t7-/m1/s1
InChIKeyXCBLFURAFHFFJF-SSDOTTSWSA-N
XLogP-2.48
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 162336285
CID 162336285
2-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]propane-1-sulfonic acid
CID 89246913
(2R)-2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]amino]propane-1-sulfonic acid
CID 98048676
sodium (Z)-N-[2-[2-hydroxyethyl-(2-hydroxy-3-sulfopropyl)amino]ethyl]octadec-9-enimidate
CID 102267572
N,N-diethylethanamine;2,3-dihydroxypropane-1-sulfonic acid
CID 175446284
3-[2-[3-[dimethyl(octadecyl)azaniumyl]propyl-[2-[2-hydroxyethyl-(2-hydroxy-3-sulfonatopropyl)amino]ethoxy]-[2-[2-hydroxyethyl-(2-hydroxy-3-sulfopropyl)amino]ethoxy]silyl]oxyethyl-(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonate
CID 167409384
3-[butyl(methyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 163987665
2-aminoacetic acid;3-(dimethylamino)-2-hydroxypropane-1-sulfonic acid
CID 175306062
1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343
3-[3-aminopropyl(methylsulfonyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 158973571
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005
1-[2-hydroxyethyl(octyl)amino]butan-2-ol
CID 23423733

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid?
The IUPAC name of (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid (CID 7157234) is (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid.
What is the SMILES notation for (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid?
The canonical SMILES for (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid is O=S(=O)(O)C[C@H](O)CN(CCO)CCO.
What is the InChIKey of (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid?
The InChIKey is XCBLFURAFHFFJF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)/t7-/m1/s1.
What are the key properties of (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid?
(2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid has a molecular weight of 243.28 g/mol, XLogP of -2.48, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid is sourced from PubChem (CID 7157234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).