1-ethyl-2-methylpyrrolidine;methanesulfonic acid

C8H19NO3S — CID 175583828

IUPAC1-ethyl-2-methylpyrrolidine;methanesulfonic acid
SMILESCCN1CCCC1C.CS(=O)(=O)O
InChIInChI=1S/C7H15N.CH4O3S/c1-3-8-6-4-5-7(8)2;1-5(2,3)4/h7H,3-6H2,1-2H3;1H3,(H,2,3,4)
InChIKeyPQSKEGVQMASDQL-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.99
Rot. Bonds1

About 1-ethyl-2-methylpyrrolidine;methanesulfonic acid

1-ethyl-2-methylpyrrolidine;methanesulfonic acid (PubChem CID 175583828) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-ethyl-2-methylpyrrolidine;methanesulfonic acid.

Molecular Properties

Compound Name1-ethyl-2-methylpyrrolidine;methanesulfonic acid
PubChem CID175583828
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name1-ethyl-2-methylpyrrolidine;methanesulfonic acid
SMILESCCN1CCCC1C.CS(=O)(=O)O
InChIInChI=1S/C7H15N.CH4O3S/c1-3-8-6-4-5-7(8)2;1-5(2,3)4/h7H,3-6H2,1-2H3;1H3,(H,2,3,4)
InChIKeyPQSKEGVQMASDQL-UHFFFAOYSA-N
XLogP0.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
1-heptyl-2-methylpyrrolidine;methanesulfonic acid
CID 175584058
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
1,2-dimethylpyrrolidine;methanesulfonic acid
CID 174719075
ethane;1-ethyl-2-methylazepane
CID 145020951
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651
CID 66737893
CID 66737893
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
2-methyl-1-(2-sulfosulfanylethyl)piperidine
CID 24842668
2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 167235673
4-(2-methylpyrrolidin-1-yl)butane-1-sulfonic acid;trifluoromethanesulfonic acid
CID 175076028
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylpyrrolidine;methanesulfonic acid?
The IUPAC name of 1-ethyl-2-methylpyrrolidine;methanesulfonic acid (CID 175583828) is 1-ethyl-2-methylpyrrolidine;methanesulfonic acid.
What is the SMILES notation for 1-ethyl-2-methylpyrrolidine;methanesulfonic acid?
The canonical SMILES for 1-ethyl-2-methylpyrrolidine;methanesulfonic acid is CCN1CCCC1C.CS(=O)(=O)O.
What is the InChIKey of 1-ethyl-2-methylpyrrolidine;methanesulfonic acid?
The InChIKey is PQSKEGVQMASDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.CH4O3S/c1-3-8-6-4-5-7(8)2;1-5(2,3)4/h7H,3-6H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 1-ethyl-2-methylpyrrolidine;methanesulfonic acid?
1-ethyl-2-methylpyrrolidine;methanesulfonic acid has a molecular weight of 209.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylpyrrolidine;methanesulfonic acid is sourced from PubChem (CID 175583828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).