3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide

C14H20N2OS — CID 12517890

IUPAC3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide
SMILESCCC1C(C)SCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-3-13-11(2)18-10-9-16(13)14(17)15-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyILKWPSFOTASGIK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.43
Rot. Bonds2

About 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide

3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide (PubChem CID 12517890) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide
PubChem CID12517890
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide
SMILESCCC1C(C)SCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-3-13-11(2)18-10-9-16(13)14(17)15-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyILKWPSFOTASGIK-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone
CID 12517847
(2R)-2-(5-methylthiophen-2-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7356533
2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
(2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 35527030
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 35526941
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide?
The IUPAC name of 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide (CID 12517890) is 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide.
What is the SMILES notation for 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide?
The canonical SMILES for 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide is CCC1C(C)SCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide?
The InChIKey is ILKWPSFOTASGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-13-11(2)18-10-9-16(13)14(17)15-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide?
3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide is sourced from PubChem (CID 12517890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).