methanesulfonic acid;1-nonylpyrrolidine

C14H31NO3S — CID 175874971

IUPACmethanesulfonic acid;1-nonylpyrrolidine
SMILESCCCCCCCCCN1CCCC1.CS(=O)(=O)O
InChIInChI=1S/C13H27N.CH4O3S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14;1-5(2,3)4/h2-13H2,1H3;1H3,(H,2,3,4)
InChIKeyZFECLMQALSXPAQ-UHFFFAOYSA-N
MW293.47 g/mol
LogP3.34
Rot. Bonds8

About methanesulfonic acid;1-nonylpyrrolidine

methanesulfonic acid;1-nonylpyrrolidine (PubChem CID 175874971) has the molecular formula C14H31NO3S and a molecular weight of 293.47 g/mol. Its IUPAC name is methanesulfonic acid;1-nonylpyrrolidine.

Molecular Properties

Compound Namemethanesulfonic acid;1-nonylpyrrolidine
PubChem CID175874971
Molecular FormulaC14H31NO3S
Molecular Weight293.47 g/mol
Exact Mass293.20
IUPAC Namemethanesulfonic acid;1-nonylpyrrolidine
SMILESCCCCCCCCCN1CCCC1.CS(=O)(=O)O
InChIInChI=1S/C13H27N.CH4O3S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14;1-5(2,3)4/h2-13H2,1H3;1H3,(H,2,3,4)
InChIKeyZFECLMQALSXPAQ-UHFFFAOYSA-N
XLogP3.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methanesulfonic acid;1-nonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
1-decylpiperidine;methanesulfonic acid
CID 175874627
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
CID 162323144
CID 162323144
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
acetic acid;1-dodecylpyrrolidine
CID 175583827
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
acetic acid;1-nonylpiperidine
CID 175874764
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;1-nonylpyrrolidine?
The IUPAC name of methanesulfonic acid;1-nonylpyrrolidine (CID 175874971) is methanesulfonic acid;1-nonylpyrrolidine.
What is the SMILES notation for methanesulfonic acid;1-nonylpyrrolidine?
The canonical SMILES for methanesulfonic acid;1-nonylpyrrolidine is CCCCCCCCCN1CCCC1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;1-nonylpyrrolidine?
The InChIKey is ZFECLMQALSXPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.CH4O3S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14;1-5(2,3)4/h2-13H2,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;1-nonylpyrrolidine?
methanesulfonic acid;1-nonylpyrrolidine has a molecular weight of 293.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;1-nonylpyrrolidine is sourced from PubChem (CID 175874971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).