(2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone

C14H21N3OS — CID 74234380

IUPAC(2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(CSC)C2)cn1
InChIInChI=1S/C14H21N3OS/c1-3-13-15-7-12(8-16-13)14(18)17-6-4-5-11(9-17)10-19-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyQNFTUAJZYDJVNE-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.25
Rot. Bonds4

About (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone (PubChem CID 74234380) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone
PubChem CID74234380
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(CSC)C2)cn1
InChIInChI=1S/C14H21N3OS/c1-3-13-15-7-12(8-16-13)14(18)17-6-4-5-11(9-17)10-19-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyQNFTUAJZYDJVNE-UHFFFAOYSA-N
XLogP2.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-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

1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144377
1H-imidazol-5-yl-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144378
(2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986027
1-[4-[(3S)-3-(methylsulfanylmethyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 97444747
2-[3-(methylsulfanylmethyl)piperidine-1-carbonyl]benzoic acid
CID 121498037
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 96577048
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 72879685
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97196287
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 97156064

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone (CID 74234380) is (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCCC(CSC)C2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone?
The InChIKey is QNFTUAJZYDJVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-13-15-7-12(8-16-13)14(18)17-6-4-5-11(9-17)10-19-2/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone has a molecular weight of 279.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 74234380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).