tributylstannanylium sulfamate

C12H29NO3SSn — CID 175434161

IUPACtributylstannanylium sulfamate
SMILESCCCC[Sn+](CCCC)CCCC.NS(=O)(=O)[O-]
InChIInChI=1S/3C4H9.H3NO3S.Sn/c3*1-3-4-2;1-5(2,3)4;/h3*1,3-4H2,2H3;(H3,1,2,3,4);/q;;;;+1/p-1
InChIKeyAYFVIIACGSIVPM-UHFFFAOYSA-M
MW386.15 g/mol
LogP3.29
Rot. Bonds9

About tributylstannanylium sulfamate

tributylstannanylium sulfamate (PubChem CID 175434161) has the molecular formula C12H29NO3SSn and a molecular weight of 386.15 g/mol. Its IUPAC name is tributylstannanylium sulfamate.

Molecular Properties

Compound Nametributylstannanylium sulfamate
PubChem CID175434161
Molecular FormulaC12H29NO3SSn
Molecular Weight386.15 g/mol
Exact Mass387.09
IUPAC Nametributylstannanylium sulfamate
SMILESCCCC[Sn+](CCCC)CCCC.NS(=O)(=O)[O-]
InChIInChI=1S/3C4H9.H3NO3S.Sn/c3*1-3-4-2;1-5(2,3)4;/h3*1,3-4H2,2H3;(H3,1,2,3,4);/q;;;;+1/p-1
InChIKeyAYFVIIACGSIVPM-UHFFFAOYSA-M
XLogP3.29
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.15
LogP ≤ 53.29
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

azane;tributylstannanylium
CID 172708853
sulfanide;tributylstannanylium
CID 13070078
copper(1+);bis(tributylstannanylium)
CID 19840058
tributylstannanylium formate
CID 22167734
methanesulfonate;tripropylstannanylium
CID 161250747
dibutyl(docosyl)stannanylium
CID 175600993
dibutyl(octyl)stannanylium
CID 87200791
hexane;sulfamide
CID 87750585
dibutyl(octyl)stannanylium chloride
CID 88642054
methanolate;trioctylstannanylium
CID 23295104
2-sulfanylacetate;tributylstannanylium
CID 161006550
tri(tetradecyl)stannanylium chloride
CID 88819643

Frequently Asked Questions

What is the IUPAC name of tributylstannanylium sulfamate?
The IUPAC name of tributylstannanylium sulfamate (CID 175434161) is tributylstannanylium sulfamate.
What is the SMILES notation for tributylstannanylium sulfamate?
The canonical SMILES for tributylstannanylium sulfamate is CCCC[Sn+](CCCC)CCCC.NS(=O)(=O)[O-].
What is the InChIKey of tributylstannanylium sulfamate?
The InChIKey is AYFVIIACGSIVPM-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9.H3NO3S.Sn/c3*1-3-4-2;1-5(2,3)4;/h3*1,3-4H2,2H3;(H3,1,2,3,4);/q;;;;+1/p-1.
What are the key properties of tributylstannanylium sulfamate?
tributylstannanylium sulfamate has a molecular weight of 386.15 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannanylium sulfamate is sourced from PubChem (CID 175434161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).