(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide

C15H15FN2O2S — CID 99775755

IUPAC(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
SMILESO=C(Nc1ccsc1)N1CCO[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C15H15FN2O2S/c16-12-3-1-2-11(8-12)14-9-18(5-6-20-14)15(19)17-13-4-7-21-10-13/h1-4,7-8,10,14H,5-6,9H2,(H,17,19)/t14-/m1/s1
InChIKeyXJUHIJPMKSLOSK-CQSZACIVSA-N
MW306.36 g/mol
LogP3.49
Rot. Bonds2

About (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide

(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 99775755) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID99775755
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
SMILESO=C(Nc1ccsc1)N1CCO[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C15H15FN2O2S/c16-12-3-1-2-11(8-12)14-9-18(5-6-20-14)15(19)17-13-4-7-21-10-13/h1-4,7-8,10,14H,5-6,9H2,(H,17,19)/t14-/m1/s1
InChIKeyXJUHIJPMKSLOSK-CQSZACIVSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-cyclopropylpyridazin-3-yl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 127624710
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
(2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 95183668
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 99814956
4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide
CID 136559164
1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 174559637
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide (CID 99775755) is (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide is O=C(Nc1ccsc1)N1CCO[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is XJUHIJPMKSLOSK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-3-1-2-11(8-12)14-9-18(5-6-20-14)15(19)17-13-4-7-21-10-13/h1-4,7-8,10,14H,5-6,9H2,(H,17,19)/t14-/m1/s1.
What are the key properties of (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide?
(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 99775755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).