2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid

C7H19NO5S — CID 87716650

IUPAC2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid
SMILESCC(C)(N)CO.CC(O)CS(=O)(=O)O
InChIInChI=1S/C4H11NO.C3H8O4S/c1-4(2,5)3-6;1-3(4)2-8(5,6)7/h6H,3,5H2,1-2H3;3-4H,2H2,1H3,(H,5,6,7)
InChIKeyFSWKQKZHWFLRLG-UHFFFAOYSA-N
MW229.30 g/mol
LogP-1.03
Rot. Bonds3

About 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid

2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid (PubChem CID 87716650) has the molecular formula C7H19NO5S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid.

Molecular Properties

Compound Name2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid
PubChem CID87716650
Molecular FormulaC7H19NO5S
Molecular Weight229.30 g/mol
Exact Mass229.10
IUPAC Name2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid
SMILESCC(C)(N)CO.CC(O)CS(=O)(=O)O
InChIInChI=1S/C4H11NO.C3H8O4S/c1-4(2,5)3-6;1-3(4)2-8(5,6)7/h6H,3,5H2,1-2H3;3-4H,2H2,1H3,(H,5,6,7)
InChIKeyFSWKQKZHWFLRLG-UHFFFAOYSA-N
XLogP-1.03
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid?
The IUPAC name of 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid (CID 87716650) is 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid.
What is the SMILES notation for 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid?
The canonical SMILES for 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid is CC(C)(N)CO.CC(O)CS(=O)(=O)O.
What is the InChIKey of 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid?
The InChIKey is FSWKQKZHWFLRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H8O4S/c1-4(2,5)3-6;1-3(4)2-8(5,6)7/h6H,3,5H2,1-2H3;3-4H,2H2,1H3,(H,5,6,7).
What are the key properties of 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid?
2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid has a molecular weight of 229.30 g/mol, XLogP of -1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid is sourced from PubChem (CID 87716650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).