(1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane

C18H28N3O2PS — CID 2312464

IUPAC(1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESC=Cn1c(P(=S)(N2CCOCC2)N2CCOCC2)cc2c1CCCC2
InChIInChI=1S/C18H28N3O2PS/c1-2-21-17-6-4-3-5-16(17)15-18(21)24(25,19-7-11-22-12-8-19)20-9-13-23-14-10-20/h2,15H,1,3-14H2
InChIKeyNHNFJLFELKERTQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.07
Rot. Bonds4

About (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane

(1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane (PubChem CID 2312464) has the molecular formula C18H28N3O2PS and a molecular weight of 381.48 g/mol. Its IUPAC name is (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
PubChem CID2312464
Molecular FormulaC18H28N3O2PS
Molecular Weight381.48 g/mol
Exact Mass381.16
IUPAC Name(1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESC=Cn1c(P(=S)(N2CCOCC2)N2CCOCC2)cc2c1CCCC2
InChIInChI=1S/C18H28N3O2PS/c1-2-21-17-6-4-3-5-16(17)15-18(21)24(25,19-7-11-22-12-8-19)20-9-13-23-14-10-20/h2,15H,1,3-14H2
InChIKeyNHNFJLFELKERTQ-UHFFFAOYSA-N
XLogP2.07
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.07
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 (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The IUPAC name of (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane (CID 2312464) is (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane is C=Cn1c(P(=S)(N2CCOCC2)N2CCOCC2)cc2c1CCCC2.
What is the InChIKey of (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The InChIKey is NHNFJLFELKERTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N3O2PS/c1-2-21-17-6-4-3-5-16(17)15-18(21)24(25,19-7-11-22-12-8-19)20-9-13-23-14-10-20/h2,15H,1,3-14H2.
What are the key properties of (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
(1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane has a molecular weight of 381.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2312464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).