2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

C15H21N3OS — CID 3624171

IUPAC2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCc1ccc(SCC(=O)NN=C2CCN(C)CC2)cc1
InChIInChI=1S/C15H21N3OS/c1-12-3-5-14(6-4-12)20-11-15(19)17-16-13-7-9-18(2)10-8-13/h3-6H,7-11H2,1-2H3,(H,17,19)
InChIKeyYWEDFKAJCZGYPW-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.28
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (PubChem CID 3624171) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
PubChem CID3624171
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCc1ccc(SCC(=O)NN=C2CCN(C)CC2)cc1
InChIInChI=1S/C15H21N3OS/c1-12-3-5-14(6-4-12)20-11-15(19)17-16-13-7-9-18(2)10-8-13/h3-6H,7-11H2,1-2H3,(H,17,19)
InChIKeyYWEDFKAJCZGYPW-UHFFFAOYSA-N
XLogP2.28
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.28
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 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (CID 3624171) is 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is Cc1ccc(SCC(=O)NN=C2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is YWEDFKAJCZGYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12-3-5-14(6-4-12)20-11-15(19)17-16-13-7-9-18(2)10-8-13/h3-6H,7-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 3624171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).