propane-1-sulfonate;tripropylazanium

C12H29NO3S — CID 19774866

IUPACpropane-1-sulfonate;tripropylazanium
SMILESCCCS(=O)(=O)[O-].CCC[NH+](CCC)CCC
InChIInChI=1S/C9H21N.C3H8O3S/c1-4-7-10(8-5-2)9-6-3;1-2-3-7(4,5)6/h4-9H2,1-3H3;2-3H2,1H3,(H,4,5,6)
InChIKeyGYRHYGJCFDRHQF-UHFFFAOYSA-N
MW267.43 g/mol
LogP1.04
Rot. Bonds8

About propane-1-sulfonate;tripropylazanium

propane-1-sulfonate;tripropylazanium (PubChem CID 19774866) has the molecular formula C12H29NO3S and a molecular weight of 267.43 g/mol. Its IUPAC name is propane-1-sulfonate;tripropylazanium.

Molecular Properties

Compound Namepropane-1-sulfonate;tripropylazanium
PubChem CID19774866
Molecular FormulaC12H29NO3S
Molecular Weight267.43 g/mol
Exact Mass267.19
IUPAC Namepropane-1-sulfonate;tripropylazanium
SMILESCCCS(=O)(=O)[O-].CCC[NH+](CCC)CCC
InChIInChI=1S/C9H21N.C3H8O3S/c1-4-7-10(8-5-2)9-6-3;1-2-3-7(4,5)6/h4-9H2,1-3H3;2-3H2,1H3,(H,4,5,6)
InChIKeyGYRHYGJCFDRHQF-UHFFFAOYSA-N
XLogP1.04
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.43
LogP ≤ 51.04
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-(Methylamino)propane-1-sulfonic acid
CID 20504852
2-(Butylamino)ethanesulphonic acid
CID 87147
1-Propanesulfonic acid, 3-(pentylamino)-
CID 11171821
2-aminoethanesulfonic acid;N,N-diethylethanamine
CID 13070088
3-Isobutylamino-1-propanesulfonic acid
CID 17907945
Taurine tetrabutylammonium salt
CID 18413528
3-(1-Propylamino)-1-propanesulfonic acid
CID 18997993
Ethyl(dimethyl)azanium;propane-1-sulfonate
CID 22926486
N-dimethyl-3-ammonio-1-propanesulfonate
CID 87069334
Dimethylammonio-1-propanesulfonate
CID 87120897
Ethyl(diisopropyl)ammonium methane sulfonate
CID 87771316
3-Aminopropyl-dimethyl-(3-sulfopropyl)azanium
CID 89044486

Frequently Asked Questions

What is the IUPAC name of propane-1-sulfonate;tripropylazanium?
The IUPAC name of propane-1-sulfonate;tripropylazanium (CID 19774866) is propane-1-sulfonate;tripropylazanium.
What is the SMILES notation for propane-1-sulfonate;tripropylazanium?
The canonical SMILES for propane-1-sulfonate;tripropylazanium is CCCS(=O)(=O)[O-].CCC[NH+](CCC)CCC.
What is the InChIKey of propane-1-sulfonate;tripropylazanium?
The InChIKey is GYRHYGJCFDRHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C3H8O3S/c1-4-7-10(8-5-2)9-6-3;1-2-3-7(4,5)6/h4-9H2,1-3H3;2-3H2,1H3,(H,4,5,6).
What are the key properties of propane-1-sulfonate;tripropylazanium?
propane-1-sulfonate;tripropylazanium has a molecular weight of 267.43 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1-sulfonate;tripropylazanium is sourced from PubChem (CID 19774866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).