(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane

C4H8N2O4P2S2-4 — CID 3556213

IUPAC(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane
SMILES[O-]P([O-])(=S)N1CCN(P([O-])([O-])=S)CC1
InChIInChI=1S/C4H12N2O4P2S2/c7-11(8,13)5-1-2-6(4-3-5)12(9,10)14/h1-4H2,(H2,7,8,13)(H2,9,10,14)/p-4
InChIKeyPYYOJJLHLOBGAB-UHFFFAOYSA-J
MW274.20 g/mol
LogP-3.51
Rot. Bonds2

About (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane

(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 3556213) has the molecular formula C4H8N2O4P2S2-4 and a molecular weight of 274.20 g/mol. Its IUPAC name is (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane
PubChem CID3556213
Molecular FormulaC4H8N2O4P2S2-4
Molecular Weight274.20 g/mol
Exact Mass273.94
IUPAC Name(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane
SMILES[O-]P([O-])(=S)N1CCN(P([O-])([O-])=S)CC1
InChIInChI=1S/C4H12N2O4P2S2/c7-11(8,13)5-1-2-6(4-3-5)12(9,10)14/h1-4H2,(H2,7,8,13)(H2,9,10,14)/p-4
InChIKeyPYYOJJLHLOBGAB-UHFFFAOYSA-J
XLogP-3.51
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-Phosphono-piperazin-1-yl) phosphonic acid
CID 90016500
(4-Dihydroxyphosphanylpiperazin-1-yl)phosphonous acid
CID 129275168
Hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium
CID 139323264
(4-Dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-lambda5-phosphane
CID 3556214
[4-(Dihydroxythioxophosphino)piperazinyl]phosphinothioxo-1,1-diol, sodium salt, sodium salt, sodium salt, sodium salt
CID 13005261

Frequently Asked Questions

What is the IUPAC name of (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane (CID 3556213) is (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane is [O-]P([O-])(=S)N1CCN(P([O-])([O-])=S)CC1.
What is the InChIKey of (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is PYYOJJLHLOBGAB-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H12N2O4P2S2/c7-11(8,13)5-1-2-6(4-3-5)12(9,10)14/h1-4H2,(H2,7,8,13)(H2,9,10,14)/p-4.
What are the key properties of (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane?
(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 274.20 g/mol, XLogP of -3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 3556213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).