methanesulfonate;1-methyl-3-propylpiperidin-1-ium

C10H23NO3S — CID 171570862

IUPACmethanesulfonate;1-methyl-3-propylpiperidin-1-ium
SMILESCCCC1CCC[NH+](C)C1.CS(=O)(=O)[O-]
InChIInChI=1S/C9H19N.CH4O3S/c1-3-5-9-6-4-7-10(2)8-9;1-5(2,3)4/h9H,3-8H2,1-2H3;1H3,(H,2,3,4)
InChIKeyGEGDNPATZSVURZ-UHFFFAOYSA-N
MW237.36 g/mol
LogP-0.13
Rot. Bonds2

About methanesulfonate;1-methyl-3-propylpiperidin-1-ium

methanesulfonate;1-methyl-3-propylpiperidin-1-ium (PubChem CID 171570862) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is methanesulfonate;1-methyl-3-propylpiperidin-1-ium.

Molecular Properties

Compound Namemethanesulfonate;1-methyl-3-propylpiperidin-1-ium
PubChem CID171570862
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Namemethanesulfonate;1-methyl-3-propylpiperidin-1-ium
SMILESCCCC1CCC[NH+](C)C1.CS(=O)(=O)[O-]
InChIInChI=1S/C9H19N.CH4O3S/c1-3-5-9-6-4-7-10(2)8-9;1-5(2,3)4/h9H,3-8H2,1-2H3;1H3,(H,2,3,4)
InChIKeyGEGDNPATZSVURZ-UHFFFAOYSA-N
XLogP-0.13
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 5-0.13
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

3-ethyl-1-pentylpiperidin-1-ium;methanesulfonate
CID 171570160
methanesulfonate;1-pentyl-2-propylpyrrolidin-1-ium
CID 171571169
hydrogen sulfate;4-(1-methylpyrrolidin-1-ium-3-yl)butane-1-sulfonic acid
CID 140563285
1-ethyl-2-propylpiperidin-1-ium;methanesulfonate
CID 171570873
1-ethyl-3-methylpiperidin-1-ium;methanesulfonate
CID 171571134
1-decyl-2-methylpyrrolidin-1-ium;methanesulfonate
CID 171571295
1-heptyl-2-methylpyrrolidin-1-ium;methanesulfonate
CID 171571517
1-hexyl-3-propylpiperidin-1-ium chloride
CID 171571494
3-(1-methylpyrrolidin-1-ium-3-yl)propane-1-sulfonic acid;trifluoromethanesulfonate
CID 87060020
1-decyl-3-ethylpyrrolidin-1-ium;methanesulfonate
CID 171570752
[(3R)-1-methylpiperidin-1-ium-3-yl]azanium
CID 7446916
propylcyclotetradecane
CID 90991550

Frequently Asked Questions

What is the IUPAC name of methanesulfonate;1-methyl-3-propylpiperidin-1-ium?
The IUPAC name of methanesulfonate;1-methyl-3-propylpiperidin-1-ium (CID 171570862) is methanesulfonate;1-methyl-3-propylpiperidin-1-ium.
What is the SMILES notation for methanesulfonate;1-methyl-3-propylpiperidin-1-ium?
The canonical SMILES for methanesulfonate;1-methyl-3-propylpiperidin-1-ium is CCCC1CCC[NH+](C)C1.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;1-methyl-3-propylpiperidin-1-ium?
The InChIKey is GEGDNPATZSVURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.CH4O3S/c1-3-5-9-6-4-7-10(2)8-9;1-5(2,3)4/h9H,3-8H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;1-methyl-3-propylpiperidin-1-ium?
methanesulfonate;1-methyl-3-propylpiperidin-1-ium has a molecular weight of 237.36 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;1-methyl-3-propylpiperidin-1-ium is sourced from PubChem (CID 171570862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).