N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide

C13H18N2OS2 — CID 82908901

IUPACN-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
SMILESO=C(NCCSc1ccccc1)C1CSCCN1
InChIInChI=1S/C13H18N2OS2/c16-13(12-10-17-8-6-14-12)15-7-9-18-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)
InChIKeyZOLCZVXQHTXYNA-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.60
Rot. Bonds5

About N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide

N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide (PubChem CID 82908901) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
PubChem CID82908901
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC NameN-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
SMILESO=C(NCCSc1ccccc1)C1CSCCN1
InChIInChI=1S/C13H18N2OS2/c16-13(12-10-17-8-6-14-12)15-7-9-18-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)
InChIKeyZOLCZVXQHTXYNA-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.60
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-(2-phenylsulfanylethyl)pyrrolidine-2-carboxamide
CID 60717864
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279
N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
CID 82908479
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide
CID 106427953
N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
CID 82906717
3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide
CID 107067830
N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide
CID 82896756
2-(2-phenylsulfanylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974542
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide (CID 82908901) is N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide is O=C(NCCSc1ccccc1)C1CSCCN1.
What is the InChIKey of N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide?
The InChIKey is ZOLCZVXQHTXYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c16-13(12-10-17-8-6-14-12)15-7-9-18-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16).
What are the key properties of N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide?
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).