2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

C14H21N3OS — CID 43301337

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CSc2ccc(N)cn2)C1
InChIInChI=1S/C14H21N3OS/c1-10-5-11(2)8-17(7-10)14(18)9-19-13-4-3-12(15)6-16-13/h3-4,6,10-11H,5,7-9,15H2,1-2H3
InChIKeySNKWOFZPFOBPFE-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.26
Rot. Bonds3

About 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 43301337) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID43301337
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CSc2ccc(N)cn2)C1
InChIInChI=1S/C14H21N3OS/c1-10-5-11(2)8-17(7-10)14(18)9-19-13-4-3-12(15)6-16-13/h3-4,6,10-11H,5,7-9,15H2,1-2H3
InChIKeySNKWOFZPFOBPFE-UHFFFAOYSA-N
XLogP2.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone 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

2-[(3-amino-4-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 43299942
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 79827123
2-[[4-amino-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 124718788
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43301222
2-(2-amino-4-bromophenyl)sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 43305952
ethyl 4-amino-2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 27792189
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 7435499
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanylethanone
CID 2500167
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-aminobenzoate
CID 7781195
2-benzylsulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4114779
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 2421922
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 43301337) is 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)CSc2ccc(N)cn2)C1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is SNKWOFZPFOBPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-5-11(2)8-17(7-10)14(18)9-19-13-4-3-12(15)6-16-13/h3-4,6,10-11H,5,7-9,15H2,1-2H3.
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 279.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43301337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).