3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide

C16H24N2OS — CID 53278983

IUPAC3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(SCCC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N2OS/c1-13-3-5-15(6-4-13)20-12-9-16(19)17-14-7-10-18(2)11-8-14/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyHZZORQSJNQQZPE-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.69
Rot. Bonds5

About 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide

3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 53278983) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID53278983
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(SCCC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N2OS/c1-13-3-5-15(6-4-13)20-12-9-16(19)17-14-7-10-18(2)11-8-14/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyHZZORQSJNQQZPE-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide (CID 53278983) is 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide is Cc1ccc(SCCC(=O)NC2CCN(C)CC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is HZZORQSJNQQZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-13-3-5-15(6-4-13)20-12-9-16(19)17-14-7-10-18(2)11-8-14/h3-6,14H,7-12H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide?
3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 292.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 53278983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).