N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide

C17H23N3OS — CID 119940745

IUPACN-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCCn1ccc2ccccc21
InChIInChI=1S/C17H23N3OS/c21-17(12-15-13-22-11-8-18-15)19-7-3-9-20-10-6-14-4-1-2-5-16(14)20/h1-2,4-6,10,15,18H,3,7-9,11-13H2,(H,19,21)
InChIKeyCJZPJTSGFQVXET-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.24
Rot. Bonds6

About N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide

N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119940745) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119940745
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCCn1ccc2ccccc21
InChIInChI=1S/C17H23N3OS/c21-17(12-15-13-22-11-8-18-15)19-7-3-9-20-10-6-14-4-1-2-5-16(14)20/h1-2,4-6,10,15,18H,3,7-9,11-13H2,(H,19,21)
InChIKeyCJZPJTSGFQVXET-UHFFFAOYSA-N
XLogP2.24
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-(3-indol-1-ylpropyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 102553021
N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119936943
N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
N-[3-(4-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937471
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 115746711
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938649
N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941285

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide (CID 119940745) is N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is CJZPJTSGFQVXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c21-17(12-15-13-22-11-8-18-15)19-7-3-9-20-10-6-14-4-1-2-5-16(14)20/h1-2,4-6,10,15,18H,3,7-9,11-13H2,(H,19,21).
What are the key properties of N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide?
N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 317.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).