morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane

C22H27N2OPS — CID 2331348

IUPACmorpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane
SMILESCN1/C(=C\P(=S)(c2ccccc2)N2CCOCC2)C(C)(C)c2ccccc21
InChIInChI=1S/C22H27N2OPS/c1-22(2)19-11-7-8-12-20(19)23(3)21(22)17-26(27,18-9-5-4-6-10-18)24-13-15-25-16-14-24/h4-12,17H,13-16H2,1-3H3/b21-17-
InChIKeyHFACUBYTCGPLOZ-FXBPSFAMSA-N
MW398.51 g/mol
LogP4.31
Rot. Bonds3

About morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane

morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane (PubChem CID 2331348) has the molecular formula C22H27N2OPS and a molecular weight of 398.51 g/mol. Its IUPAC name is morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane.

Molecular Properties

Compound Namemorpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane
PubChem CID2331348
Molecular FormulaC22H27N2OPS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC Namemorpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane
SMILESCN1/C(=C\P(=S)(c2ccccc2)N2CCOCC2)C(C)(C)c2ccccc21
InChIInChI=1S/C22H27N2OPS/c1-22(2)19-11-7-8-12-20(19)23(3)21(22)17-26(27,18-9-5-4-6-10-18)24-13-15-25-16-14-24/h4-12,17H,13-16H2,1-3H3/b21-17-
InChIKeyHFACUBYTCGPLOZ-FXBPSFAMSA-N
XLogP4.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
morpholin-4-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10638162
N-ethyl-N-[ethyl-[(1,3,3-trimethylindol-2-ylidene)methyl]phosphinothioyl]ethanamine
CID 5227656
N-ethyl-N-[ethyl-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]phosphinothioyl]ethanamine
CID 11913497
N-ethyl-N-[ethyl-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]phosphinothioyl]ethanamine
CID 2327517
4-[2,5-bis[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]morpholin-4-ium
CID 59171319
(4-bromophenyl)imino-diphenyl-[(1,3,3-trimethylindol-2-ylidene)methyl]-λ5-phosphane
CID 3627038
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
(3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 55498674
N-(4-methoxyphenyl)-1-[4-[phenyl-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]phosphinothioyl]oxyphenyl]methanimine
CID 11865027
9,9,10-trimethylacridine
CID 610451
(3Z)-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 56526157

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane?
The IUPAC name of morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane (CID 2331348) is morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane.
What is the SMILES notation for morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane?
The canonical SMILES for morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane is CN1/C(=C\P(=S)(c2ccccc2)N2CCOCC2)C(C)(C)c2ccccc21.
What is the InChIKey of morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane?
The InChIKey is HFACUBYTCGPLOZ-FXBPSFAMSA-N. The full InChI is InChI=1S/C22H27N2OPS/c1-22(2)19-11-7-8-12-20(19)23(3)21(22)17-26(27,18-9-5-4-6-10-18)24-13-15-25-16-14-24/h4-12,17H,13-16H2,1-3H3/b21-17-.
What are the key properties of morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane?
morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane has a molecular weight of 398.51 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane is sourced from PubChem (CID 2331348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).