(1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid

C6H15NO9S3 — CID 92855665

IUPAC(1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid
SMILESC[C@H](N([C@@H](C)S(=O)(=O)O)[C@H](C)S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C6H15NO9S3/c1-4(17(8,9)10)7(5(2)18(11,12)13)6(3)19(14,15)16/h4-6H,1-3H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)/t4-,5-,6+/m1/s1
InChIKeyRFKRECFVGSSJCM-PBXRRBTRSA-N
MW341.39 g/mol
LogP-1.01
Rot. Bonds6

About (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid

(1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid (PubChem CID 92855665) has the molecular formula C6H15NO9S3 and a molecular weight of 341.39 g/mol. Its IUPAC name is (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid.

Molecular Properties

Compound Name(1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid
PubChem CID92855665
Molecular FormulaC6H15NO9S3
Molecular Weight341.39 g/mol
Exact Mass340.99
IUPAC Name(1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid
SMILESC[C@H](N([C@@H](C)S(=O)(=O)O)[C@H](C)S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C6H15NO9S3/c1-4(17(8,9)10)7(5(2)18(11,12)13)6(3)19(14,15)16/h4-6H,1-3H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)/t4-,5-,6+/m1/s1
InChIKeyRFKRECFVGSSJCM-PBXRRBTRSA-N
XLogP-1.01
TPSA166.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid?
The IUPAC name of (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid (CID 92855665) is (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid.
What is the SMILES notation for (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid?
The canonical SMILES for (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid is C[C@H](N([C@@H](C)S(=O)(=O)O)[C@H](C)S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid?
The InChIKey is RFKRECFVGSSJCM-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H15NO9S3/c1-4(17(8,9)10)7(5(2)18(11,12)13)6(3)19(14,15)16/h4-6H,1-3H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)/t4-,5-,6+/m1/s1.
What are the key properties of (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid?
(1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid has a molecular weight of 341.39 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid is sourced from PubChem (CID 92855665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).