1-amino-2-methylbutan-2-ol;methanesulfonic acid

C6H17NO4S — CID 20512871

IUPAC1-amino-2-methylbutan-2-ol;methanesulfonic acid
SMILESCCC(C)(O)CN.CS(=O)(=O)O
InChIInChI=1S/C5H13NO.CH4O3S/c1-3-5(2,7)4-6;1-5(2,3)4/h7H,3-4,6H2,1-2H3;1H3,(H,2,3,4)
InChIKeyFGWFECYVXKQAPI-UHFFFAOYSA-N
MW199.27 g/mol
LogP-0.39
Rot. Bonds2

About 1-amino-2-methylbutan-2-ol;methanesulfonic acid

1-amino-2-methylbutan-2-ol;methanesulfonic acid (PubChem CID 20512871) has the molecular formula C6H17NO4S and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-amino-2-methylbutan-2-ol;methanesulfonic acid.

Molecular Properties

Compound Name1-amino-2-methylbutan-2-ol;methanesulfonic acid
PubChem CID20512871
Molecular FormulaC6H17NO4S
Molecular Weight199.27 g/mol
Exact Mass199.09
IUPAC Name1-amino-2-methylbutan-2-ol;methanesulfonic acid
SMILESCCC(C)(O)CN.CS(=O)(=O)O
InChIInChI=1S/C5H13NO.CH4O3S/c1-3-5(2,7)4-6;1-5(2,3)4/h7H,3-4,6H2,1-2H3;1H3,(H,2,3,4)
InChIKeyFGWFECYVXKQAPI-UHFFFAOYSA-N
XLogP-0.39
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
CID 174426895
1-amino-3-methylpentan-3-ol
CID 54320456
2-aminobutan-2-ol;azane;sulfuric acid
CID 174805988
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
3-amino-N-(2-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 115426775
2-ethyl-2-methylpropane-1,3-diol;methanesulfonic acid
CID 71389262
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
1,4-diamino-2-methylbutan-2-ol;dihydrochloride
CID 88739570
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
azane;3-methylpentan-3-ol
CID 87107560
hafnium;3-methylpentan-3-ol
CID 154175223

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylbutan-2-ol;methanesulfonic acid?
The IUPAC name of 1-amino-2-methylbutan-2-ol;methanesulfonic acid (CID 20512871) is 1-amino-2-methylbutan-2-ol;methanesulfonic acid.
What is the SMILES notation for 1-amino-2-methylbutan-2-ol;methanesulfonic acid?
The canonical SMILES for 1-amino-2-methylbutan-2-ol;methanesulfonic acid is CCC(C)(O)CN.CS(=O)(=O)O.
What is the InChIKey of 1-amino-2-methylbutan-2-ol;methanesulfonic acid?
The InChIKey is FGWFECYVXKQAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.CH4O3S/c1-3-5(2,7)4-6;1-5(2,3)4/h7H,3-4,6H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 1-amino-2-methylbutan-2-ol;methanesulfonic acid?
1-amino-2-methylbutan-2-ol;methanesulfonic acid has a molecular weight of 199.27 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylbutan-2-ol;methanesulfonic acid is sourced from PubChem (CID 20512871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).