N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide

C13H18N2O2S — CID 142830576

IUPACN-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide
SMILESS=CNc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C13H18N2O2S/c18-11-14-12-1-3-13(4-2-12)17-10-7-15-5-8-16-9-6-15/h1-4,11H,5-10H2,(H,14,18)
InChIKeyJXXWTEWJJBHJDN-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.77
Rot. Bonds6

About N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide

N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide (PubChem CID 142830576) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide
PubChem CID142830576
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide
SMILESS=CNc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C13H18N2O2S/c18-11-14-12-1-3-13(4-2-12)17-10-7-15-5-8-16-9-6-15/h1-4,11H,5-10H2,(H,14,18)
InChIKeyJXXWTEWJJBHJDN-UHFFFAOYSA-N
XLogP1.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-[4-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 87332393
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine
CID 123489921
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(oxetan-3-yl)acetamide
CID 167978203
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide (CID 142830576) is N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide is S=CNc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide?
The InChIKey is JXXWTEWJJBHJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c18-11-14-12-1-3-13(4-2-12)17-10-7-15-5-8-16-9-6-15/h1-4,11H,5-10H2,(H,14,18).
What are the key properties of N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide?
N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide has a molecular weight of 266.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide is sourced from PubChem (CID 142830576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).