(1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium

C3H8NO5PS — CID 175164350

IUPAC(1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium
SMILESCOS(=O)(=O)C(C)(N)[P+](=O)[O-]
InChIInChI=1S/C3H8NO5PS/c1-3(4,10(5)6)11(7,8)9-2/h4H2,1-2H3
InChIKeyDZEALPKANZDAEV-UHFFFAOYSA-N
MW201.14 g/mol
LogP-1.30
Rot. Bonds3

About (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium

(1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium (PubChem CID 175164350) has the molecular formula C3H8NO5PS and a molecular weight of 201.14 g/mol. Its IUPAC name is (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium.

Molecular Properties

Compound Name(1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium
PubChem CID175164350
Molecular FormulaC3H8NO5PS
Molecular Weight201.14 g/mol
Exact Mass200.99
IUPAC Name(1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium
SMILESCOS(=O)(=O)C(C)(N)[P+](=O)[O-]
InChIInChI=1S/C3H8NO5PS/c1-3(4,10(5)6)11(7,8)9-2/h4H2,1-2H3
InChIKeyDZEALPKANZDAEV-UHFFFAOYSA-N
XLogP-1.30
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

copper;methyl trifluoromethanesulfonate
CID 174775711
methyl trifluoromethanesulfonate;silver
CID 174859792
methyl trifluoromethanesulfonate;trimethyloxidanium;hexafluorophosphate
CID 23466283
methyl 2-(1-adamantyl)propane-2-sulfonate
CID 175329048
dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate
CID 173436078
bis(2-aminopropan-2-yloxy)-oxophosphanium
CID 87210634
methyl hydrogen sulfate;2-methylnonadecan-2-amine
CID 173392018
gold(1+);methyl sulfate
CID 11965801
aluminum tris(methoxy-oxido-oxophosphanium)
CID 160728321
methoxy-(methoxysulfonylmethyl)-oxophosphanium
CID 130464254
2,3-dimethylbutane-2,3-diamine;sulfuric acid
CID 175026836
2-aminopropane-2-sulfonic acid
CID 18332427

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium?
The IUPAC name of (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium (CID 175164350) is (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium.
What is the SMILES notation for (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium?
The canonical SMILES for (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium is COS(=O)(=O)C(C)(N)[P+](=O)[O-].
What is the InChIKey of (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium?
The InChIKey is DZEALPKANZDAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5PS/c1-3(4,10(5)6)11(7,8)9-2/h4H2,1-2H3.
What are the key properties of (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium?
(1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium has a molecular weight of 201.14 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-methoxysulfonylethyl)-oxido-oxophosphanium is sourced from PubChem (CID 175164350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).