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

C14H18ClN3OS — CID 749660

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN3OS/c1-18-8-6-12(7-9-18)16-17-14(19)10-20-13-4-2-11(15)3-5-13/h2-5H,6-10H2,1H3,(H,17,19)
InChIKeyCKGDEJDOJRCKET-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.63
Rot. Bonds4

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

2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (PubChem CID 749660) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
PubChem CID749660
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN3OS/c1-18-8-6-12(7-9-18)16-17-14(19)10-20-13-4-2-11(15)3-5-13/h2-5H,6-10H2,1H3,(H,17,19)
InChIKeyCKGDEJDOJRCKET-UHFFFAOYSA-N
XLogP2.63
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.63
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-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (CID 749660) is 2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is CN1CCC(=NNC(=O)CSc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is CKGDEJDOJRCKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-18-8-6-12(7-9-18)16-17-14(19)10-20-13-4-2-11(15)3-5-13/h2-5H,6-10H2,1H3,(H,17,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 311.84 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 749660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).