S-trityl 2-morpholin-4-ylethanethioate

C25H25NO2S — CID 15780363

IUPACS-trityl 2-morpholin-4-ylethanethioate
SMILESO=C(CN1CCOCC1)SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2S/c27-24(20-26-16-18-28-19-17-26)29-25(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyNQHGTRCDCSDSTA-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.57
Rot. Bonds6

About S-trityl 2-morpholin-4-ylethanethioate

S-trityl 2-morpholin-4-ylethanethioate (PubChem CID 15780363) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is S-trityl 2-morpholin-4-ylethanethioate.

Molecular Properties

Compound NameS-trityl 2-morpholin-4-ylethanethioate
PubChem CID15780363
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC NameS-trityl 2-morpholin-4-ylethanethioate
SMILESO=C(CN1CCOCC1)SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2S/c27-24(20-26-16-18-28-19-17-26)29-25(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyNQHGTRCDCSDSTA-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
4-morpholin-4-yl-3,3-diphenylbutan-2-one
CID 23423770
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
S-(morpholin-4-ylmethyl) 2-phenylethanethioate
CID 24975270
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
1-amino-2-morpholin-4-yl-1-phenylethanol
CID 67546296
2-[4-(3-tritylsulfanylpropyl)piperazin-1-yl]acetic acid
CID 126752612
(E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide
CID 177014366
N'-(2-morpholin-4-ylacetyl)benzohydrazide
CID 8903734
N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide
CID 70935246
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799

Frequently Asked Questions

What is the IUPAC name of S-trityl 2-morpholin-4-ylethanethioate?
The IUPAC name of S-trityl 2-morpholin-4-ylethanethioate (CID 15780363) is S-trityl 2-morpholin-4-ylethanethioate.
What is the SMILES notation for S-trityl 2-morpholin-4-ylethanethioate?
The canonical SMILES for S-trityl 2-morpholin-4-ylethanethioate is O=C(CN1CCOCC1)SC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of S-trityl 2-morpholin-4-ylethanethioate?
The InChIKey is NQHGTRCDCSDSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S/c27-24(20-26-16-18-28-19-17-26)29-25(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2.
What are the key properties of S-trityl 2-morpholin-4-ylethanethioate?
S-trityl 2-morpholin-4-ylethanethioate has a molecular weight of 403.55 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-trityl 2-morpholin-4-ylethanethioate is sourced from PubChem (CID 15780363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).