methanesulfonate;methyl-tris(prop-2-enyl)azanium

C11H21NO3S — CID 141431677

IUPACmethanesulfonate;methyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CC=C.CS(=O)(=O)[O-]
InChIInChI=1S/C10H18N.CH4O3S/c1-5-8-11(4,9-6-2)10-7-3;1-5(2,3)4/h5-7H,1-3,8-10H2,4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyJUGPNXGZJYBZEL-UHFFFAOYSA-M
MW247.36 g/mol
LogP1.15
Rot. Bonds6

About methanesulfonate;methyl-tris(prop-2-enyl)azanium

methanesulfonate;methyl-tris(prop-2-enyl)azanium (PubChem CID 141431677) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is methanesulfonate;methyl-tris(prop-2-enyl)azanium.

Molecular Properties

Compound Namemethanesulfonate;methyl-tris(prop-2-enyl)azanium
PubChem CID141431677
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Namemethanesulfonate;methyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CC=C.CS(=O)(=O)[O-]
InChIInChI=1S/C10H18N.CH4O3S/c1-5-8-11(4,9-6-2)10-7-3;1-5(2,3)4/h5-7H,1-3,8-10H2,4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyJUGPNXGZJYBZEL-UHFFFAOYSA-M
XLogP1.15
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonate;methyl-tris(prop-2-enyl)azanium?
The IUPAC name of methanesulfonate;methyl-tris(prop-2-enyl)azanium (CID 141431677) is methanesulfonate;methyl-tris(prop-2-enyl)azanium.
What is the SMILES notation for methanesulfonate;methyl-tris(prop-2-enyl)azanium?
The canonical SMILES for methanesulfonate;methyl-tris(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)CC=C.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;methyl-tris(prop-2-enyl)azanium?
The InChIKey is JUGPNXGZJYBZEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N.CH4O3S/c1-5-8-11(4,9-6-2)10-7-3;1-5(2,3)4/h5-7H,1-3,8-10H2,4H3;1H3,(H,2,3,4)/q+1;/p-1.
What are the key properties of methanesulfonate;methyl-tris(prop-2-enyl)azanium?
methanesulfonate;methyl-tris(prop-2-enyl)azanium has a molecular weight of 247.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;methyl-tris(prop-2-enyl)azanium is sourced from PubChem (CID 141431677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).