1,2-dimethylpyrrolidine;methanesulfonic acid

C7H17NO3S — CID 174719075

IUPAC1,2-dimethylpyrrolidine;methanesulfonic acid
SMILESCC1CCCN1C.CS(=O)(=O)O
InChIInChI=1S/C6H13N.CH4O3S/c1-6-4-3-5-7(6)2;1-5(2,3)4/h6H,3-5H2,1-2H3;1H3,(H,2,3,4)
InChIKeyYHQIMEJVOBMHAL-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.60
Rot. Bonds

About 1,2-dimethylpyrrolidine;methanesulfonic acid

1,2-dimethylpyrrolidine;methanesulfonic acid (PubChem CID 174719075) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine;methanesulfonic acid.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine;methanesulfonic acid
PubChem CID174719075
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name1,2-dimethylpyrrolidine;methanesulfonic acid
SMILESCC1CCCN1C.CS(=O)(=O)O
InChIInChI=1S/C6H13N.CH4O3S/c1-6-4-3-5-7(6)2;1-5(2,3)4/h6H,3-5H2,1-2H3;1H3,(H,2,3,4)
InChIKeyYHQIMEJVOBMHAL-UHFFFAOYSA-N
XLogP0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.60
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrolidine;methanesulfonic acid?
The IUPAC name of 1,2-dimethylpyrrolidine;methanesulfonic acid (CID 174719075) is 1,2-dimethylpyrrolidine;methanesulfonic acid.
What is the SMILES notation for 1,2-dimethylpyrrolidine;methanesulfonic acid?
The canonical SMILES for 1,2-dimethylpyrrolidine;methanesulfonic acid is CC1CCCN1C.CS(=O)(=O)O.
What is the InChIKey of 1,2-dimethylpyrrolidine;methanesulfonic acid?
The InChIKey is YHQIMEJVOBMHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.CH4O3S/c1-6-4-3-5-7(6)2;1-5(2,3)4/h6H,3-5H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 1,2-dimethylpyrrolidine;methanesulfonic acid?
1,2-dimethylpyrrolidine;methanesulfonic acid has a molecular weight of 195.28 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine;methanesulfonic acid is sourced from PubChem (CID 174719075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).