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

C16H19N2OPS — CID 23416278

IUPAC(2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@@](=S)(Nc2ccccc2)N1C
InChIInChI=1S/C16H19N2OPS/c1-13-16(14-9-5-3-6-10-14)19-20(21,18(13)2)17-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,17,21)/t13-,16-,20+/m0/s1
InChIKeySOPBHKYDCVXJMN-ZSOFBXJNSA-N
MW318.38 g/mol
LogP4.41
Rot. Bonds3

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

(2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine (PubChem CID 23416278) has the molecular formula C16H19N2OPS and a molecular weight of 318.38 g/mol. Its IUPAC name is (2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine.

Molecular Properties

Compound Name(2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
PubChem CID23416278
Molecular FormulaC16H19N2OPS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name(2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@@](=S)(Nc2ccccc2)N1C
InChIInChI=1S/C16H19N2OPS/c1-13-16(14-9-5-3-6-10-14)19-20(21,18(13)2)17-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,17,21)/t13-,16-,20+/m0/s1
InChIKeySOPBHKYDCVXJMN-ZSOFBXJNSA-N
XLogP4.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.41
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 (2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
The IUPAC name of (2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine (CID 23416278) is (2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine.
What is the SMILES notation for (2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
The canonical SMILES for (2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine is C[C@H]1[C@@H](c2ccccc2)O[P@@](=S)(Nc2ccccc2)N1C.
What is the InChIKey of (2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
The InChIKey is SOPBHKYDCVXJMN-ZSOFBXJNSA-N. The full InChI is InChI=1S/C16H19N2OPS/c1-13-16(14-9-5-3-6-10-14)19-20(21,18(13)2)17-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,17,21)/t13-,16-,20+/m0/s1.
What are the key properties of (2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
(2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine is sourced from PubChem (CID 23416278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).