[(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium

C6H11NO3PS+ — CID 175107482

IUPAC[(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium
SMILESC=C[P+](=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3PS/c1-2-11(8)7-6-3-4-12(9,10)5-6/h2,6H,1,3-5H2,(H,7,8)/q+1
InChIKeyLSJHMFUYBMKNFK-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.65
Rot. Bonds3

About [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium

[(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium (PubChem CID 175107482) has the molecular formula C6H11NO3PS+ and a molecular weight of 208.20 g/mol. Its IUPAC name is [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium.

Molecular Properties

Compound Name[(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium
PubChem CID175107482
Molecular FormulaC6H11NO3PS+
Molecular Weight208.20 g/mol
Exact Mass208.02
IUPAC Name[(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium
SMILESC=C[P+](=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3PS/c1-2-11(8)7-6-3-4-12(9,10)5-6/h2,6H,1,3-5H2,(H,7,8)/q+1
InChIKeyLSJHMFUYBMKNFK-UHFFFAOYSA-N
XLogP0.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine
CID 97358805
[(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride
CID 155928072
(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
CID 2770116
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(3-methylbut-1-en-2-yl)-1,1-dioxothiolan-3-amine
CID 170117431
N-(1,1-dioxothiolan-3-yl)-2-methylprop-2-enamide
CID 3806585
N-hept-6-en-3-yl-1,1-dioxothiolan-3-amine
CID 115707649
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine
CID 98143335
1,1-dioxo-N-(2-prop-2-enoxyethyl)thiolan-3-amine
CID 62572213

Frequently Asked Questions

What is the IUPAC name of [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium?
The IUPAC name of [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium (CID 175107482) is [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium.
What is the SMILES notation for [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium?
The canonical SMILES for [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium is C=C[P+](=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium?
The InChIKey is LSJHMFUYBMKNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3PS/c1-2-11(8)7-6-3-4-12(9,10)5-6/h2,6H,1,3-5H2,(H,7,8)/q+1.
What are the key properties of [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium?
[(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium has a molecular weight of 208.20 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,1-dioxothiolan-3-yl)amino]-ethenyl-oxophosphanium is sourced from PubChem (CID 175107482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).