2-aminobutan-2-ol;methanesulfonic acid;hydrochloride

C5H16ClNO4S — CID 174426895

IUPAC2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
SMILESCCC(C)(N)O.CS(=O)(=O)O.Cl
InChIInChI=1S/C4H11NO.CH4O3S.ClH/c1-3-4(2,5)6;1-5(2,3)4;/h6H,3,5H2,1-2H3;1H3,(H,2,3,4);1H
InChIKeyINUIBIACFWZEIK-UHFFFAOYSA-N
MW221.71 g/mol
LogP-0.01
Rot. Bonds1

About 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride

2-aminobutan-2-ol;methanesulfonic acid;hydrochloride (PubChem CID 174426895) has the molecular formula C5H16ClNO4S and a molecular weight of 221.71 g/mol. Its IUPAC name is 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride.

Molecular Properties

Compound Name2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
PubChem CID174426895
Molecular FormulaC5H16ClNO4S
Molecular Weight221.71 g/mol
Exact Mass221.05
IUPAC Name2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
SMILESCCC(C)(N)O.CS(=O)(=O)O.Cl
InChIInChI=1S/C4H11NO.CH4O3S.ClH/c1-3-4(2,5)6;1-5(2,3)4;/h6H,3,5H2,1-2H3;1H3,(H,2,3,4);1H
InChIKeyINUIBIACFWZEIK-UHFFFAOYSA-N
XLogP-0.01
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride?
The IUPAC name of 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride (CID 174426895) is 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride.
What is the SMILES notation for 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride?
The canonical SMILES for 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride is CCC(C)(N)O.CS(=O)(=O)O.Cl.
What is the InChIKey of 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride?
The InChIKey is INUIBIACFWZEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.CH4O3S.ClH/c1-3-4(2,5)6;1-5(2,3)4;/h6H,3,5H2,1-2H3;1H3,(H,2,3,4);1H.
What are the key properties of 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride?
2-aminobutan-2-ol;methanesulfonic acid;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutan-2-ol;methanesulfonic acid;hydrochloride is sourced from PubChem (CID 174426895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).