(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane

C4H11N2O2PS — CID 89248841

IUPAC(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane
SMILESCC1(C)CN(P)S(=O)(=O)N1
InChIInChI=1S/C4H11N2O2PS/c1-4(2)3-6(9)10(7,8)5-4/h5H,3,9H2,1-2H3
InChIKeyYHGFNBWFYWQNJM-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.29
Rot. Bonds

About (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane

(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane (PubChem CID 89248841) has the molecular formula C4H11N2O2PS and a molecular weight of 182.18 g/mol. Its IUPAC name is (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane.

Molecular Properties

Compound Name(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane
PubChem CID89248841
Molecular FormulaC4H11N2O2PS
Molecular Weight182.18 g/mol
Exact Mass182.03
IUPAC Name(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane
SMILESCC1(C)CN(P)S(=O)(=O)N1
InChIInChI=1S/C4H11N2O2PS/c1-4(2)3-6(9)10(7,8)5-4/h5H,3,9H2,1-2H3
InChIKeyYHGFNBWFYWQNJM-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane?
The IUPAC name of (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane (CID 89248841) is (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane.
What is the SMILES notation for (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane?
The canonical SMILES for (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane is CC1(C)CN(P)S(=O)(=O)N1.
What is the InChIKey of (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane?
The InChIKey is YHGFNBWFYWQNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N2O2PS/c1-4(2)3-6(9)10(7,8)5-4/h5H,3,9H2,1-2H3.
What are the key properties of (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane?
(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane has a molecular weight of 182.18 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phosphane is sourced from PubChem (CID 89248841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).