1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid

C6H17NO5S — CID 20512861

IUPAC1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid
SMILESCC(O)CNCCO.CS(=O)(=O)O
InChIInChI=1S/C5H13NO2.CH4O3S/c1-5(8)4-6-2-3-7;1-5(2,3)4/h5-8H,2-4H2,1H3;1H3,(H,2,3,4)
InChIKeyMPNBMMXQRGFMID-UHFFFAOYSA-N
MW215.27 g/mol
LogP-1.55
Rot. Bonds4

About 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid

1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid (PubChem CID 20512861) has the molecular formula C6H17NO5S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid
PubChem CID20512861
Molecular FormulaC6H17NO5S
Molecular Weight215.27 g/mol
Exact Mass215.08
IUPAC Name1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid
SMILESCC(O)CNCCO.CS(=O)(=O)O
InChIInChI=1S/C5H13NO2.CH4O3S/c1-5(8)4-6-2-3-7;1-5(2,3)4/h5-8H,2-4H2,1H3;1H3,(H,2,3,4)
InChIKeyMPNBMMXQRGFMID-UHFFFAOYSA-N
XLogP-1.55
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid?
The IUPAC name of 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid (CID 20512861) is 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid.
What is the SMILES notation for 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid?
The canonical SMILES for 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid is CC(O)CNCCO.CS(=O)(=O)O.
What is the InChIKey of 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid?
The InChIKey is MPNBMMXQRGFMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.CH4O3S/c1-5(8)4-6-2-3-7;1-5(2,3)4/h5-8H,2-4H2,1H3;1H3,(H,2,3,4).
What are the key properties of 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid?
1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid has a molecular weight of 215.27 g/mol, XLogP of -1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)propan-2-ol;methanesulfonic acid is sourced from PubChem (CID 20512861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).