[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone

C18H23N3O2S — CID 124992366

IUPAC[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3sccc3C)CCO2)n1
InChIInChI=1S/C18H23N3O2S/c1-12-5-8-24-17(12)18(22)21-6-7-23-16(11-21)15-10-14(20(3)4)9-13(2)19-15/h5,8-10,16H,6-7,11H2,1-4H3/t16-/m0/s1
InChIKeyPQCAZYSRFKLENH-INIZCTEOSA-N
MW345.47 g/mol
LogP3.04
Rot. Bonds3

About [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone

[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 124992366) 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]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID124992366
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3sccc3C)CCO2)n1
InChIInChI=1S/C18H23N3O2S/c1-12-5-8-24-17(12)18(22)21-6-7-23-16(11-21)15-10-14(20(3)4)9-13(2)19-15/h5,8-10,16H,6-7,11H2,1-4H3/t16-/m0/s1
InChIKeyPQCAZYSRFKLENH-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]-(3-methylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 125016784
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124981363
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124981281
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone
CID 125027072
[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110113611
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110113577
[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
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124995314
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 124995524
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-methylthiophen-2-yl)methanone
CID 124806600

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone (CID 124992366) is [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone is Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3sccc3C)CCO2)n1.
What is the InChIKey of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is PQCAZYSRFKLENH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-5-8-24-17(12)18(22)21-6-7-23-16(11-21)15-10-14(20(3)4)9-13(2)19-15/h5,8-10,16H,6-7,11H2,1-4H3/t16-/m0/s1.
What are the key properties of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone?
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-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]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 124992366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).