N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide

C17H27N3O2S — CID 3239713

IUPACN-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide
SMILESO=C(CCSCCc1ccncc1)NCCCN1CCOCC1
InChIInChI=1S/C17H27N3O2S/c21-17(19-6-1-9-20-10-12-22-13-11-20)5-15-23-14-4-16-2-7-18-8-3-16/h2-3,7-8H,1,4-6,9-15H2,(H,19,21)
InChIKeyZJHDSFDVSUFLJO-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.59
Rot. Bonds10

About N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide

N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide (PubChem CID 3239713) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide
PubChem CID3239713
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide
SMILESO=C(CCSCCc1ccncc1)NCCCN1CCOCC1
InChIInChI=1S/C17H27N3O2S/c21-17(19-6-1-9-20-10-12-22-13-11-20)5-15-23-14-4-16-2-7-18-8-3-16/h2-3,7-8H,1,4-6,9-15H2,(H,19,21)
InChIKeyZJHDSFDVSUFLJO-UHFFFAOYSA-N
XLogP1.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide (CID 3239713) is N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide is O=C(CCSCCc1ccncc1)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide?
The InChIKey is ZJHDSFDVSUFLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c21-17(19-6-1-9-20-10-12-22-13-11-20)5-15-23-14-4-16-2-7-18-8-3-16/h2-3,7-8H,1,4-6,9-15H2,(H,19,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide?
N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide has a molecular weight of 337.49 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-(2-pyridin-4-ylethylsulfanyl)propanamide is sourced from PubChem (CID 3239713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).