methanesulfonic acid;1-methyl-2-octylidenepyrrolidine

C14H29NO3S — CID 175874636

IUPACmethanesulfonic acid;1-methyl-2-octylidenepyrrolidine
SMILESCCCCCCCC=C1CCCN1C.CS(=O)(=O)O
InChIInChI=1S/C13H25N.CH4O3S/c1-3-4-5-6-7-8-10-13-11-9-12-14(13)2;1-5(2,3)4/h10H,3-9,11-12H2,1-2H3;1H3,(H,2,3,4)
InChIKeyWZAYCPCRUUVTCP-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.46
Rot. Bonds6

About methanesulfonic acid;1-methyl-2-octylidenepyrrolidine

methanesulfonic acid;1-methyl-2-octylidenepyrrolidine (PubChem CID 175874636) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is methanesulfonic acid;1-methyl-2-octylidenepyrrolidine.

Molecular Properties

Compound Namemethanesulfonic acid;1-methyl-2-octylidenepyrrolidine
PubChem CID175874636
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Namemethanesulfonic acid;1-methyl-2-octylidenepyrrolidine
SMILESCCCCCCCC=C1CCCN1C.CS(=O)(=O)O
InChIInChI=1S/C13H25N.CH4O3S/c1-3-4-5-6-7-8-10-13-11-9-12-14(13)2;1-5(2,3)4/h10H,3-9,11-12H2,1-2H3;1H3,(H,2,3,4)
InChIKeyWZAYCPCRUUVTCP-UHFFFAOYSA-N
XLogP3.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.46
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-methyl-2-octylidenepyrrolidine 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

2-heptylidene-1-propylpyrrolidine
CID 175874608
1-butyl-2-hexylidenepyrrolidine;hydrofluoride
CID 175874540
acetic acid;1-butyl-2-undecylidenepiperidine
CID 175874613
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
1-decylpiperidine;methanesulfonic acid
CID 175874627
methanesulfonic acid;1-methylpyrrolidin-2-one;hydrate
CID 131725232
butane;ethane;methanesulfonic acid;octane
CID 144526252
decylidenecyclobutane
CID 15365573
dodecylidenecyclobutane
CID 176570971
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
heptadecylidenecyclopropane
CID 19760704

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;1-methyl-2-octylidenepyrrolidine?
The IUPAC name of methanesulfonic acid;1-methyl-2-octylidenepyrrolidine (CID 175874636) is methanesulfonic acid;1-methyl-2-octylidenepyrrolidine.
What is the SMILES notation for methanesulfonic acid;1-methyl-2-octylidenepyrrolidine?
The canonical SMILES for methanesulfonic acid;1-methyl-2-octylidenepyrrolidine is CCCCCCCC=C1CCCN1C.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;1-methyl-2-octylidenepyrrolidine?
The InChIKey is WZAYCPCRUUVTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.CH4O3S/c1-3-4-5-6-7-8-10-13-11-9-12-14(13)2;1-5(2,3)4/h10H,3-9,11-12H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;1-methyl-2-octylidenepyrrolidine?
methanesulfonic acid;1-methyl-2-octylidenepyrrolidine has a molecular weight of 291.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;1-methyl-2-octylidenepyrrolidine is sourced from PubChem (CID 175874636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).