4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine

C18H25N4OPS — CID 3298463

IUPAC4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine
SMILESCN1C(=C2C=NN(C)P2(=S)N2CCOCC2)C(C)(C)c2ccccc21
InChIInChI=1S/C18H25N4OPS/c1-18(2)14-7-5-6-8-15(14)20(3)17(18)16-13-19-21(4)24(16,25)22-9-11-23-12-10-22/h5-8,13H,9-12H2,1-4H3
InChIKeyYRQMIHBBROVUEU-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.20
Rot. Bonds1

About 4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine

4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine (PubChem CID 3298463) has the molecular formula C18H25N4OPS and a molecular weight of 376.47 g/mol. Its IUPAC name is 4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine
PubChem CID3298463
Molecular FormulaC18H25N4OPS
Molecular Weight376.47 g/mol
Exact Mass376.15
IUPAC Name4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine
SMILESCN1C(=C2C=NN(C)P2(=S)N2CCOCC2)C(C)(C)c2ccccc21
InChIInChI=1S/C18H25N4OPS/c1-18(2)14-7-5-6-8-15(14)20(3)17(18)16-13-19-21(4)24(16,25)22-9-11-23-12-10-22/h5-8,13H,9-12H2,1-4H3
InChIKeyYRQMIHBBROVUEU-UHFFFAOYSA-N
XLogP3.20
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine (CID 3298463) is 4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine is CN1C(=C2C=NN(C)P2(=S)N2CCOCC2)C(C)(C)c2ccccc21.
What is the InChIKey of 4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine?
The InChIKey is YRQMIHBBROVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N4OPS/c1-18(2)14-7-5-6-8-15(14)20(3)17(18)16-13-19-21(4)24(16,25)22-9-11-23-12-10-22/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine?
4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine has a molecular weight of 376.47 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine is sourced from PubChem (CID 3298463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).