3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide

C15H20ClN3OS — CID 2855397

IUPAC3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide
SMILESCN1CCC(=NNC(=O)CCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3OS/c1-19-9-6-13(7-10-19)17-18-15(20)8-11-21-14-4-2-12(16)3-5-14/h2-5H,6-11H2,1H3,(H,18,20)
InChIKeyZFHVGCHUCYOJAZ-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.02
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide

3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide (PubChem CID 2855397) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide
PubChem CID2855397
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide
SMILESCN1CCC(=NNC(=O)CCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3OS/c1-19-9-6-13(7-10-19)17-18-15(20)8-11-21-14-4-2-12(16)3-5-14/h2-5H,6-11H2,1H3,(H,18,20)
InChIKeyZFHVGCHUCYOJAZ-UHFFFAOYSA-N
XLogP3.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide (CID 2855397) is 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide is CN1CCC(=NNC(=O)CCSc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide?
The InChIKey is ZFHVGCHUCYOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-19-9-6-13(7-10-19)17-18-15(20)8-11-21-14-4-2-12(16)3-5-14/h2-5H,6-11H2,1H3,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide has a molecular weight of 325.87 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide is sourced from PubChem (CID 2855397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).