[2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium

C6H17NO3PS+ — CID 129254185

IUPAC[2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium
SMILESC[P+](C)(C)N(CCO)S(C)(=O)=O
InChIInChI=1S/C6H17NO3PS/c1-11(2,3)7(5-6-8)12(4,9)10/h8H,5-6H2,1-4H3/q+1
InChIKeyUKNGXGJZIPPNEZ-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.06
Rot. Bonds4

About [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium

[2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium (PubChem CID 129254185) has the molecular formula C6H17NO3PS+ and a molecular weight of 214.25 g/mol. Its IUPAC name is [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium.

Molecular Properties

Compound Name[2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium
PubChem CID129254185
Molecular FormulaC6H17NO3PS+
Molecular Weight214.25 g/mol
Exact Mass214.07
IUPAC Name[2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium
SMILESC[P+](C)(C)N(CCO)S(C)(=O)=O
InChIInChI=1S/C6H17NO3PS/c1-11(2,3)7(5-6-8)12(4,9)10/h8H,5-6H2,1-4H3/q+1
InChIKeyUKNGXGJZIPPNEZ-UHFFFAOYSA-N
XLogP0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium?
The IUPAC name of [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium (CID 129254185) is [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium.
What is the SMILES notation for [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium?
The canonical SMILES for [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium is C[P+](C)(C)N(CCO)S(C)(=O)=O.
What is the InChIKey of [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium?
The InChIKey is UKNGXGJZIPPNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO3PS/c1-11(2,3)7(5-6-8)12(4,9)10/h8H,5-6H2,1-4H3/q+1.
What are the key properties of [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium?
[2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium has a molecular weight of 214.25 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium is sourced from PubChem (CID 129254185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).