methanesulfonic acid;2-methoxy-N,N-dimethylethanamine

C6H17NO4S — CID 174574685

IUPACmethanesulfonic acid;2-methoxy-N,N-dimethylethanamine
SMILESCOCCN(C)C.CS(=O)(=O)O
InChIInChI=1S/C5H13NO.CH4O3S/c1-6(2)4-5-7-3;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4)
InChIKeyQHCLHVAEGMDIKC-UHFFFAOYSA-N
MW199.27 g/mol
LogP-0.30
Rot. Bonds3

About methanesulfonic acid;2-methoxy-N,N-dimethylethanamine

methanesulfonic acid;2-methoxy-N,N-dimethylethanamine (PubChem CID 174574685) has the molecular formula C6H17NO4S and a molecular weight of 199.27 g/mol. Its IUPAC name is methanesulfonic acid;2-methoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Namemethanesulfonic acid;2-methoxy-N,N-dimethylethanamine
PubChem CID174574685
Molecular FormulaC6H17NO4S
Molecular Weight199.27 g/mol
Exact Mass199.09
IUPAC Namemethanesulfonic acid;2-methoxy-N,N-dimethylethanamine
SMILESCOCCN(C)C.CS(=O)(=O)O
InChIInChI=1S/C5H13NO.CH4O3S/c1-6(2)4-5-7-3;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4)
InChIKeyQHCLHVAEGMDIKC-UHFFFAOYSA-N
XLogP-0.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-methoxy-N,N-dimethylethanamine
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2-(dimethylamino)ethyl hydrogen sulfate
CID 12574414
2-methoxyethyl(sulfo)sulfamic acid
CID 15889416
2-(dimethylamino)ethanethiol;methanesulfonic acid
CID 23033854
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529
N-[2-[2-methoxyethyl(methyl)amino]ethyl]methanesulfonamide
CID 63714040
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride
CID 173075807
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
N,N-dimethylpropan-1-amine;methyl hydrogen sulfate
CID 174895397

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2-methoxy-N,N-dimethylethanamine?
The IUPAC name of methanesulfonic acid;2-methoxy-N,N-dimethylethanamine (CID 174574685) is methanesulfonic acid;2-methoxy-N,N-dimethylethanamine.
What is the SMILES notation for methanesulfonic acid;2-methoxy-N,N-dimethylethanamine?
The canonical SMILES for methanesulfonic acid;2-methoxy-N,N-dimethylethanamine is COCCN(C)C.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;2-methoxy-N,N-dimethylethanamine?
The InChIKey is QHCLHVAEGMDIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.CH4O3S/c1-6(2)4-5-7-3;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-methoxy-N,N-dimethylethanamine?
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine has a molecular weight of 199.27 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-methoxy-N,N-dimethylethanamine is sourced from PubChem (CID 174574685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).