(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide

C22H27N3OS — CID 126354048

IUPAC(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3OS/c1-18(27-17-20-10-6-3-7-11-20)22(26)24-23-21-12-14-25(15-13-21)16-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,26)/t18-/m1/s1
InChIKeyRSTJYDLYRDGKBG-GOSISDBHSA-N
MW381.55 g/mol
LogP4.08
Rot. Bonds7

About (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide

(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide (PubChem CID 126354048) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide
PubChem CID126354048
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3OS/c1-18(27-17-20-10-6-3-7-11-20)22(26)24-23-21-12-14-25(15-13-21)16-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,26)/t18-/m1/s1
InChIKeyRSTJYDLYRDGKBG-GOSISDBHSA-N
XLogP4.08
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.08
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

(2S)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-(4-chlorophenyl)sulfanylpropanamide
CID 126335040
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
2-benzylsulfanyl-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 55778351
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
CID 167799834
(2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
CID 96561983
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
CID 1219274
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide (CID 126354048) is (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide is C[C@@H](SCc1ccccc1)C(=O)NN=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide?
The InChIKey is RSTJYDLYRDGKBG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-18(27-17-20-10-6-3-7-11-20)22(26)24-23-21-12-14-25(15-13-21)16-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide?
(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide has a molecular weight of 381.55 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide is sourced from PubChem (CID 126354048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).