4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine

C23H28N2OS — CID 126576449

IUPAC4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine
SMILESCCn1cc(Sc2ccc(CC(C)N3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C23H28N2OS/c1-3-24-17-23(21-6-4-5-7-22(21)24)27-20-10-8-19(9-11-20)16-18(2)25-12-14-26-15-13-25/h4-11,17-18H,3,12-16H2,1-2H3
InChIKeyWMBYHYWCYXTXIP-UHFFFAOYSA-N
MW380.56 g/mol
LogP5.08
Rot. Bonds6

About 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine

4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine (PubChem CID 126576449) has the molecular formula C23H28N2OS and a molecular weight of 380.56 g/mol. Its IUPAC name is 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine
PubChem CID126576449
Molecular FormulaC23H28N2OS
Molecular Weight380.56 g/mol
Exact Mass380.19
IUPAC Name4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine
SMILESCCn1cc(Sc2ccc(CC(C)N3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C23H28N2OS/c1-3-24-17-23(21-6-4-5-7-22(21)24)27-20-10-8-19(9-11-20)16-18(2)25-12-14-26-15-13-25/h4-11,17-18H,3,12-16H2,1-2H3
InChIKeyWMBYHYWCYXTXIP-UHFFFAOYSA-N
XLogP5.08
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
CID 143833538
4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]morpholine
CID 123753899
[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid
CID 159021674
2-(1-ethylindol-3-yl)sulfanylacetonitrile
CID 13089093
4-methyl-1-(3-phenylsulfanylindol-1-yl)pentan-2-one
CID 19887645
4-(1-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)morpholine
CID 168943600
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
ethyl 2-(1-ethylindol-3-yl)sulfanylacetate
CID 43949356
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
4-(3-carbazol-9-yl-1-phenylbutyl)morpholine
CID 4602727
4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine
CID 175419722

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine?
The IUPAC name of 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine (CID 126576449) is 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine?
The canonical SMILES for 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine is CCn1cc(Sc2ccc(CC(C)N3CCOCC3)cc2)c2ccccc21.
What is the InChIKey of 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine?
The InChIKey is WMBYHYWCYXTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2OS/c1-3-24-17-23(21-6-4-5-7-22(21)24)27-20-10-8-19(9-11-20)16-18(2)25-12-14-26-15-13-25/h4-11,17-18H,3,12-16H2,1-2H3.
What are the key properties of 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine?
4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine has a molecular weight of 380.56 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine is sourced from PubChem (CID 126576449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).