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

C15H21N3OS — CID 2855239

IUPACN-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C15H21N3OS/c1-12(20-14-6-4-3-5-7-14)15(19)17-16-13-8-10-18(2)11-9-13/h3-7,12H,8-11H2,1-2H3,(H,17,19)
InChIKeyHJLDJLWPZXCMEY-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.37
Rot. Bonds4

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

N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide (PubChem CID 2855239) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide
PubChem CID2855239
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C15H21N3OS/c1-12(20-14-6-4-3-5-7-14)15(19)17-16-13-8-10-18(2)11-9-13/h3-7,12H,8-11H2,1-2H3,(H,17,19)
InChIKeyHJLDJLWPZXCMEY-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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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Related Compounds

N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide
CID 3110489
2-[(4-chlorophenyl)sulfanyl]-N'-(1-methylpiperidin-4-ylidene)acetohydrazide
CID 749660
2-(benzylthio)-N'-(1-methyl-4-piperidinylidene)acetohydrazide
CID 2854421
2-[(4-methylphenyl)sulfanyl]-N'-(1-methylpiperidin-4-ylidene)acetohydrazide
CID 3624171
2-(benzylthio)-N'-(1-methyl-4-piperidinylidene)propanohydrazide
CID 2855777
2-[(4-methylbenzyl)thio]-N'-(1-methylpiperidin-4-ylidene)acetohydrazide
CID 4655961
3-Methyl-4-phenylsulfanyl-1,4-dihydropyrazol-5-one
CID 14533059
3-(4-chlorophenyl)sulfanyl-N-[(1-methylpiperidin-4-ylidene)amino]propanamide
CID 2855397
2-[(4-chlorophenyl)sulfanyl]-N'-(1-methylpiperidin-4-ylidene)propanehydrazide
CID 3618386
2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide
CID 9271541
Methyl 4-[3-(4-fluorophenyl)sulfanylpropanoylhydrazinylidene]piperidine-1-carboxylate
CID 71890761
2-(phenylsulfanyl)-N'-(propan-2-ylidene)propanehydrazide
CID 2854751

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide (CID 2855239) is N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NN=C1CCN(C)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide?
The InChIKey is HJLDJLWPZXCMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12(20-14-6-4-3-5-7-14)15(19)17-16-13-8-10-18(2)11-9-13/h3-7,12H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide?
N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide has a molecular weight of 291.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2855239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).