3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid

C20H32N4O8S2 — CID 70556127

IUPAC3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
SMILESCN1CCCC1c1cccnc1.CN1CCC[C@H]1c1cccnc1.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/2C10H14N2.2H2O4S/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*1-5(2,3)4/h2*2,4,6,8,10H,3,5,7H2,1H3;2*(H2,1,2,3,4)/t10-;;;/m0.../s1
InChIKeyJWNVSEYLTYFQCO-KAFJHEIMSA-N
MW520.63 g/mol
LogP2.39
Rot. Bonds2

About 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid

3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid (PubChem CID 70556127) has the molecular formula C20H32N4O8S2 and a molecular weight of 520.63 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
PubChem CID70556127
Molecular FormulaC20H32N4O8S2
Molecular Weight520.63 g/mol
Exact Mass520.17
IUPAC Name3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
SMILESCN1CCCC1c1cccnc1.CN1CCC[C@H]1c1cccnc1.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/2C10H14N2.2H2O4S/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*1-5(2,3)4/h2*2,4,6,8,10H,3,5,7H2,1H3;2*(H2,1,2,3,4)/t10-;;;/m0.../s1
InChIKeyJWNVSEYLTYFQCO-KAFJHEIMSA-N
XLogP2.39
TPSA181.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate
CID 158251825
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid (CID 70556127) is 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid is CN1CCCC1c1cccnc1.CN1CCC[C@H]1c1cccnc1.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid?
The InChIKey is JWNVSEYLTYFQCO-KAFJHEIMSA-N. The full InChI is InChI=1S/2C10H14N2.2H2O4S/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*1-5(2,3)4/h2*2,4,6,8,10H,3,5,7H2,1H3;2*(H2,1,2,3,4)/t10-;;;/m0.../s1.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid?
3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid has a molecular weight of 520.63 g/mol, XLogP of 2.39, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid is sourced from PubChem (CID 70556127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).