methanesulfonate;tripropylazanium

C10H25NO3S — CID 171393722

IUPACmethanesulfonate;tripropylazanium
SMILESCCC[NH+](CCC)CCC.CS(=O)(=O)[O-]
InChIInChI=1S/C9H21N.CH4O3S/c1-4-7-10(8-5-2)9-6-3;1-5(2,3)4/h4-9H2,1-3H3;1H3,(H,2,3,4)
InChIKeyDHBZBLDPXBXXMH-UHFFFAOYSA-N
MW239.38 g/mol
LogP0.26
Rot. Bonds6

About methanesulfonate;tripropylazanium

methanesulfonate;tripropylazanium (PubChem CID 171393722) has the molecular formula C10H25NO3S and a molecular weight of 239.38 g/mol. Its IUPAC name is methanesulfonate;tripropylazanium.

Molecular Properties

Compound Namemethanesulfonate;tripropylazanium
PubChem CID171393722
Molecular FormulaC10H25NO3S
Molecular Weight239.38 g/mol
Exact Mass239.16
IUPAC Namemethanesulfonate;tripropylazanium
SMILESCCC[NH+](CCC)CCC.CS(=O)(=O)[O-]
InChIInChI=1S/C9H21N.CH4O3S/c1-4-7-10(8-5-2)9-6-3;1-5(2,3)4/h4-9H2,1-3H3;1H3,(H,2,3,4)
InChIKeyDHBZBLDPXBXXMH-UHFFFAOYSA-N
XLogP0.26
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of methanesulfonate;tripropylazanium?
The IUPAC name of methanesulfonate;tripropylazanium (CID 171393722) is methanesulfonate;tripropylazanium.
What is the SMILES notation for methanesulfonate;tripropylazanium?
The canonical SMILES for methanesulfonate;tripropylazanium is CCC[NH+](CCC)CCC.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;tripropylazanium?
The InChIKey is DHBZBLDPXBXXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.CH4O3S/c1-4-7-10(8-5-2)9-6-3;1-5(2,3)4/h4-9H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;tripropylazanium?
methanesulfonate;tripropylazanium has a molecular weight of 239.38 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;tripropylazanium is sourced from PubChem (CID 171393722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).