4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine

C23H27N4OPS — CID 11865122

IUPAC4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
SMILESCN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=S)N2CCOCC2)C(C)(C)c2ccccc21
InChIInChI=1S/C23H27N4OPS/c1-23(2)19-11-7-8-12-20(19)25(3)22(23)21-17-24-27(18-9-5-4-6-10-18)29(21,30)26-13-15-28-16-14-26/h4-12,17H,13-16H2,1-3H3/b22-21+/t29-/m0/s1
InChIKeyIQGDOFFWLIXMJR-PZUPEONZSA-N
MW438.54 g/mol
LogP4.77
Rot. Bonds2

About 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine

4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine (PubChem CID 11865122) has the molecular formula C23H27N4OPS and a molecular weight of 438.54 g/mol. Its IUPAC name is 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
PubChem CID11865122
Molecular FormulaC23H27N4OPS
Molecular Weight438.54 g/mol
Exact Mass438.16
IUPAC Name4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
SMILESCN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=S)N2CCOCC2)C(C)(C)c2ccccc21
InChIInChI=1S/C23H27N4OPS/c1-23(2)19-11-7-8-12-20(19)25(3)22(23)21-17-24-27(18-9-5-4-6-10-18)29(21,30)26-13-15-28-16-14-26/h4-12,17H,13-16H2,1-3H3/b22-21+/t29-/m0/s1
InChIKeyIQGDOFFWLIXMJR-PZUPEONZSA-N
XLogP4.77
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine
CID 3298463
4-[(4Z)-3-(2-nitrophenyl)imino-2-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
CID 6163027
(3R,4E)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphole 3-oxide
CID 11864773
(4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide
CID 2317389
N,N-diethyl-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-amine
CID 3526838
4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
CID 5202110
(3S,4E)-2,3-diphenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphole 3-oxide
CID 11913566
(4E)-N-(4-methylphenyl)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine
CID 2317394
(3S,4E)-N,N-diethyl-2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-amine
CID 11913499
4-[(3R,4E)-2-methyl-3-(3-nitrophenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
CID 25357609
3-methyl-1-phenyl-4-piperidin-1-yl-4-sulfanylidene-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine
CID 2317595
N-(4-nitrophenyl)-3-oxo-2-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-amine
CID 5051120

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine?
The IUPAC name of 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine (CID 11865122) is 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine.
What is the SMILES notation for 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine?
The canonical SMILES for 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine is CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=S)N2CCOCC2)C(C)(C)c2ccccc21.
What is the InChIKey of 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine?
The InChIKey is IQGDOFFWLIXMJR-PZUPEONZSA-N. The full InChI is InChI=1S/C23H27N4OPS/c1-23(2)19-11-7-8-12-20(19)25(3)22(23)21-17-24-27(18-9-5-4-6-10-18)29(21,30)26-13-15-28-16-14-26/h4-12,17H,13-16H2,1-3H3/b22-21+/t29-/m0/s1.
What are the key properties of 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine?
4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine has a molecular weight of 438.54 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine is sourced from PubChem (CID 11865122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).