2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

C16H24N2O2S — CID 2986818

IUPAC2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CSCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C16H24N2O2S/c19-16(14-21-13-15-5-2-1-3-6-15)17-7-4-8-18-9-11-20-12-10-18/h1-3,5-6H,4,7-14H2,(H,17,19)
InChIKeyDRZUHQTUBUGFER-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.76
Rot. Bonds8

About 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 2986818) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID2986818
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CSCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C16H24N2O2S/c19-16(14-21-13-15-5-2-1-3-6-15)17-7-4-8-18-9-11-20-12-10-18/h1-3,5-6H,4,7-14H2,(H,17,19)
InChIKeyDRZUHQTUBUGFER-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Benzylsulfonyl)-1-(morpholin-4-yl)ethanone
CID 284483
N-[3-(4-morpholinyl)propyl]-2-phenyl-2-(phenylthio)acetamide
CID 2862865
1-Morpholino-2-(p-tolylthio)ethanone
CID 875760
4-{[(4-Methylbenzyl)thio]acetyl}morpholine
CID 775100
3-[(2-fluorobenzyl)thio]-N-(2-methoxyethyl)propanamide
CID 3236068
3-[(2-methylbenzyl)sulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 3237976
2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2219795
Morpholine, 4-benzylthiocarbonyl-
CID 91905
2-[(4-methylbenzyl)thio]-N-[3-(4-morpholinyl)propyl]acetamide
CID 2987188
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
CID 3120116
3-[(4-Methylphenyl)sulfanyl]-1-(morpholin-4-yl)propan-1-one
CID 894134
N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
CID 2105521

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (CID 2986818) is 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide is O=C(CSCc1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is DRZUHQTUBUGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(14-21-13-15-5-2-1-3-6-15)17-7-4-8-18-9-11-20-12-10-18/h1-3,5-6H,4,7-14H2,(H,17,19).
What are the key properties of 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 2986818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).