(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine

C12H19N2OPS — CID 58445883

IUPAC(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
SMILESC[C@@H]1[C@H](c2ccccc2)OP(=S)(N(C)C)N1C
InChIInChI=1S/C12H19N2OPS/c1-10-12(11-8-6-5-7-9-11)15-16(17,13(2)3)14(10)4/h5-10,12H,1-4H3/t10-,12-,16?/m1/s1
InChIKeyIUTKDHFVOYTFCY-FCLRLEBCSA-N
MW270.34 g/mol
LogP2.86
Rot. Bonds2

About (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine

(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine (PubChem CID 58445883) has the molecular formula C12H19N2OPS and a molecular weight of 270.34 g/mol. Its IUPAC name is (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine.

Molecular Properties

Compound Name(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
PubChem CID58445883
Molecular FormulaC12H19N2OPS
Molecular Weight270.34 g/mol
Exact Mass270.10
IUPAC Name(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
SMILESC[C@@H]1[C@H](c2ccccc2)OP(=S)(N(C)C)N1C
InChIInChI=1S/C12H19N2OPS/c1-10-12(11-8-6-5-7-9-11)15-16(17,13(2)3)14(10)4/h5-10,12H,1-4H3/t10-,12-,16?/m1/s1
InChIKeyIUTKDHFVOYTFCY-FCLRLEBCSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
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 (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
The IUPAC name of (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine (CID 58445883) is (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine.
What is the SMILES notation for (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
The canonical SMILES for (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine is C[C@@H]1[C@H](c2ccccc2)OP(=S)(N(C)C)N1C.
What is the InChIKey of (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
The InChIKey is IUTKDHFVOYTFCY-FCLRLEBCSA-N. The full InChI is InChI=1S/C12H19N2OPS/c1-10-12(11-8-6-5-7-9-11)15-16(17,13(2)3)14(10)4/h5-10,12H,1-4H3/t10-,12-,16?/m1/s1.
What are the key properties of (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine is sourced from PubChem (CID 58445883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).