N-(3-ethylphenyl)thiomorpholine-4-carboxamide

C13H18N2OS — CID 3537953

IUPACN-(3-ethylphenyl)thiomorpholine-4-carboxamide
SMILESCCc1cccc(NC(=O)N2CCSCC2)c1
InChIInChI=1S/C13H18N2OS/c1-2-11-4-3-5-12(10-11)14-13(16)15-6-8-17-9-7-15/h3-5,10H,2,6-9H2,1H3,(H,14,16)
InChIKeyVNROLLDJBOPQTG-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.83
Rot. Bonds2

About N-(3-ethylphenyl)thiomorpholine-4-carboxamide

N-(3-ethylphenyl)thiomorpholine-4-carboxamide (PubChem CID 3537953) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)thiomorpholine-4-carboxamide
PubChem CID3537953
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(3-ethylphenyl)thiomorpholine-4-carboxamide
SMILESCCc1cccc(NC(=O)N2CCSCC2)c1
InChIInChI=1S/C13H18N2OS/c1-2-11-4-3-5-12(10-11)14-13(16)15-6-8-17-9-7-15/h3-5,10H,2,6-9H2,1H3,(H,14,16)
InChIKeyVNROLLDJBOPQTG-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide
CID 72857348
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093912
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
CID 126815827
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide
CID 118762293
N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331982
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98743883
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
N-(3-ethylphenyl)-4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42773855
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)thiomorpholine-4-carboxamide (CID 3537953) is N-(3-ethylphenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)thiomorpholine-4-carboxamide is CCc1cccc(NC(=O)N2CCSCC2)c1.
What is the InChIKey of N-(3-ethylphenyl)thiomorpholine-4-carboxamide?
The InChIKey is VNROLLDJBOPQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-11-4-3-5-12(10-11)14-13(16)15-6-8-17-9-7-15/h3-5,10H,2,6-9H2,1H3,(H,14,16).
What are the key properties of N-(3-ethylphenyl)thiomorpholine-4-carboxamide?
N-(3-ethylphenyl)thiomorpholine-4-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 3537953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).