2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide

C16H26N4OS — CID 23590438

IUPAC2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide
SMILESCCCN1CCCC(CNC(=O)CSc2ncc(C)cn2)C1
InChIInChI=1S/C16H26N4OS/c1-3-6-20-7-4-5-14(11-20)10-17-15(21)12-22-16-18-8-13(2)9-19-16/h8-9,14H,3-7,10-12H2,1-2H3,(H,17,21)
InChIKeySVUGRWLWCLRTLP-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.12
Rot. Bonds7

About 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide

2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide (PubChem CID 23590438) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide
PubChem CID23590438
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide
SMILESCCCN1CCCC(CNC(=O)CSc2ncc(C)cn2)C1
InChIInChI=1S/C16H26N4OS/c1-3-6-20-7-4-5-14(11-20)10-17-15(21)12-22-16-18-8-13(2)9-19-16/h8-9,14H,3-7,10-12H2,1-2H3,(H,17,21)
InChIKeySVUGRWLWCLRTLP-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide (CID 23590438) is 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide is CCCN1CCCC(CNC(=O)CSc2ncc(C)cn2)C1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide?
The InChIKey is SVUGRWLWCLRTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-3-6-20-7-4-5-14(11-20)10-17-15(21)12-22-16-18-8-13(2)9-19-16/h8-9,14H,3-7,10-12H2,1-2H3,(H,17,21).
What are the key properties of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide?
2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide has a molecular weight of 322.48 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 23590438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).