2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide

C13H20N4OS — CID 23590439

IUPAC2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1cnc(SCC(=O)NCC2CCCNC2)nc1
InChIInChI=1S/C13H20N4OS/c1-10-5-16-13(17-6-10)19-9-12(18)15-8-11-3-2-4-14-7-11/h5-6,11,14H,2-4,7-9H2,1H3,(H,15,18)
InChIKeyNTFVNCLLXNEMSW-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.99
Rot. Bonds5

About 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide

2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 23590439) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide
PubChem CID23590439
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1cnc(SCC(=O)NCC2CCCNC2)nc1
InChIInChI=1S/C13H20N4OS/c1-10-5-16-13(17-6-10)19-9-12(18)15-8-11-3-2-4-14-7-11/h5-6,11,14H,2-4,7-9H2,1H3,(H,15,18)
InChIKeyNTFVNCLLXNEMSW-UHFFFAOYSA-N
XLogP0.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]-2-(5-methylpyrimidin-2-yl)sulfanylacetamide;5-methyl-1H-pyrimidine-2-thione;2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide;2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide;propanal
CID 158651454
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide
CID 23590438
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119461406
2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119464381
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 119462366
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide (CID 23590439) is 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide is Cc1cnc(SCC(=O)NCC2CCCNC2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is NTFVNCLLXNEMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-10-5-16-13(17-6-10)19-9-12(18)15-8-11-3-2-4-14-7-11/h5-6,11,14H,2-4,7-9H2,1H3,(H,15,18).
What are the key properties of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide?
2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 280.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 23590439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).