(5-sulfanylidenepyrrolidin-2-yl)phosphonic acid

C4H8NO3PS — CID 22644558

IUPAC(5-sulfanylidenepyrrolidin-2-yl)phosphonic acid
SMILESO=P(O)(O)C1CCC(=S)N1
InChIInChI=1S/C4H8NO3PS/c6-9(7,8)3-1-2-4(10)5-3/h3H,1-2H2,(H,5,10)(H2,6,7,8)
InChIKeyANCMUPFMFPXPDX-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.20
Rot. Bonds1

About (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid

(5-sulfanylidenepyrrolidin-2-yl)phosphonic acid (PubChem CID 22644558) has the molecular formula C4H8NO3PS and a molecular weight of 181.15 g/mol. Its IUPAC name is (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid.

Molecular Properties

Compound Name(5-sulfanylidenepyrrolidin-2-yl)phosphonic acid
PubChem CID22644558
Molecular FormulaC4H8NO3PS
Molecular Weight181.15 g/mol
Exact Mass181.00
IUPAC Name(5-sulfanylidenepyrrolidin-2-yl)phosphonic acid
SMILESO=P(O)(O)C1CCC(=S)N1
InChIInChI=1S/C4H8NO3PS/c6-9(7,8)3-1-2-4(10)5-3/h3H,1-2H2,(H,5,10)(H2,6,7,8)
InChIKeyANCMUPFMFPXPDX-UHFFFAOYSA-N
XLogP0.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium 5-sulfanylidenepyrrolidine-2-carboxylate
CID 177305523
[(2R)-pyrrolidin-2-yl]phosphonic acid
CID 53355435
(1-amino-5-oxopyrrolidin-2-yl)phosphonic acid
CID 85423754
[(2S)-piperidin-2-yl]phosphonic acid
CID 11829783
pyrrolidin-2-ylphosphonic acid;hydrate
CID 168869998
piperidin-2-ylphosphonic acid
CID 2785326
2-amino-1,3-diazinane-4-thione
CID 78350195
[hydroxy(oxo)silyl]phosphonic acid
CID 173335499
(3-oxocyclopentyl)phosphonic acid
CID 22644556
4,5-dihydro-1H-imidazol-5-ylphosphonic acid
CID 154514945
(3-oxopyrazolidin-1-yl) dihydrogen phosphate
CID 57270957
(2-oxopyrrolidin-3-yl)phosphonic acid
CID 19906170

Frequently Asked Questions

What is the IUPAC name of (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid?
The IUPAC name of (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid (CID 22644558) is (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid.
What is the SMILES notation for (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid?
The canonical SMILES for (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid is O=P(O)(O)C1CCC(=S)N1.
What is the InChIKey of (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid?
The InChIKey is ANCMUPFMFPXPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO3PS/c6-9(7,8)3-1-2-4(10)5-3/h3H,1-2H2,(H,5,10)(H2,6,7,8).
What are the key properties of (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid?
(5-sulfanylidenepyrrolidin-2-yl)phosphonic acid has a molecular weight of 181.15 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-sulfanylidenepyrrolidin-2-yl)phosphonic acid is sourced from PubChem (CID 22644558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).