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

C15H21N3OS — CID 2854421

IUPAC2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CSCc2ccccc2)CC1
InChIInChI=1S/C15H21N3OS/c1-18-9-7-14(8-10-18)16-17-15(19)12-20-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19)
InChIKeyANXRKTNHUAKZMB-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.12
Rot. Bonds5

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

2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (PubChem CID 2854421) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
PubChem CID2854421
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CSCc2ccccc2)CC1
InChIInChI=1S/C15H21N3OS/c1-18-9-7-14(8-10-18)16-17-15(19)12-20-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19)
InChIKeyANXRKTNHUAKZMB-UHFFFAOYSA-N
XLogP2.12
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.12
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'}

Analyze 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (CID 2854421) is 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is CN1CCC(=NNC(=O)CSCc2ccccc2)CC1.
What is the InChIKey of 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is ANXRKTNHUAKZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-18-9-7-14(8-10-18)16-17-15(19)12-20-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19).
What are the key properties of 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 2854421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).