[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone

C18H23N3O2S — CID 125016784

IUPAC[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)c1
InChIInChI=1S/C18H23N3O2S/c1-12-7-17(24-11-12)18(22)21-5-6-23-16(10-21)15-9-14(20(3)4)8-13(2)19-15/h7-9,11,16H,5-6,10H2,1-4H3/t16-/m0/s1
InChIKeyXCQFAKNMZOJHGH-INIZCTEOSA-N
MW345.47 g/mol
LogP3.04
Rot. Bonds3

About [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone

[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 125016784) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID125016784
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)c1
InChIInChI=1S/C18H23N3O2S/c1-12-7-17(24-11-12)18(22)21-5-6-23-16(10-21)15-9-14(20(3)4)8-13(2)19-15/h7-9,11,16H,5-6,10H2,1-4H3/t16-/m0/s1
InChIKeyXCQFAKNMZOJHGH-INIZCTEOSA-N
XLogP3.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 124992366
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124981281
[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110113611
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone
CID 125027072
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124981363
[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110113584
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 110113531
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110113577
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 110129715
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124995314
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124971089

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone (CID 125016784) is [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)c1.
What is the InChIKey of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is XCQFAKNMZOJHGH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-7-17(24-11-12)18(22)21-5-6-23-16(10-21)15-9-14(20(3)4)8-13(2)19-15/h7-9,11,16H,5-6,10H2,1-4H3/t16-/m0/s1.
What are the key properties of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 125016784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).