N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide

C13H20N4OS — CID 77098316

IUPACN-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
SMILESCSc1ncc(CN2CCCC(NC(C)=O)C2)cn1
InChIInChI=1S/C13H20N4OS/c1-10(18)16-12-4-3-5-17(9-12)8-11-6-14-13(19-2)15-7-11/h6-7,12H,3-5,8-9H2,1-2H3,(H,16,18)
InChIKeyCZGQLCNPCLFWMD-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.30
Rot. Bonds4

About N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide

N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 77098316) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
PubChem CID77098316
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
SMILESCSc1ncc(CN2CCCC(NC(C)=O)C2)cn1
InChIInChI=1S/C13H20N4OS/c1-10(18)16-12-4-3-5-17(9-12)8-11-6-14-13(19-2)15-7-11/h6-7,12H,3-5,8-9H2,1-2H3,(H,16,18)
InChIKeyCZGQLCNPCLFWMD-UHFFFAOYSA-N
XLogP1.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide (CID 77098316) is N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide is CSc1ncc(CN2CCCC(NC(C)=O)C2)cn1.
What is the InChIKey of N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is CZGQLCNPCLFWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-10(18)16-12-4-3-5-17(9-12)8-11-6-14-13(19-2)15-7-11/h6-7,12H,3-5,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide?
N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 280.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 77098316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).