[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone

C16H18N2O2S — CID 124949665

IUPAC[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc(C)s3)CCO2)ccn1
InChIInChI=1S/C16H18N2O2S/c1-11-9-13(5-6-17-11)14-10-18(7-8-20-14)16(19)15-4-3-12(2)21-15/h3-6,9,14H,7-8,10H2,1-2H3/t14-/m0/s1
InChIKeyCVTQGTGSIUSIBH-AWEZNQCLSA-N
MW302.40 g/mol
LogP2.97
Rot. Bonds2

About [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone

[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 124949665) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID124949665
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc(C)s3)CCO2)ccn1
InChIInChI=1S/C16H18N2O2S/c1-11-9-13(5-6-17-11)14-10-18(7-8-20-14)16(19)15-4-3-12(2)21-15/h3-6,9,14H,7-8,10H2,1-2H3/t14-/m0/s1
InChIKeyCVTQGTGSIUSIBH-AWEZNQCLSA-N
XLogP2.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124953555
5,6-dimethyl-3-[(2R)-2-(2-methyl-4-pyridinyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124980669
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125009661
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 125019087
(2-methyl-3H-benzimidazol-5-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102686
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
2-cyclopentyl-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124987741
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124988560
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 110102646

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone (CID 124949665) is [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone is Cc1cc([C@@H]2CN(C(=O)c3ccc(C)s3)CCO2)ccn1.
What is the InChIKey of [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is CVTQGTGSIUSIBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-9-13(5-6-17-11)14-10-18(7-8-20-14)16(19)15-4-3-12(2)21-15/h3-6,9,14H,7-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone?
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 124949665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).