N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide

C17H24N2O3S — CID 125174342

IUPACN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide
SMILESCC(=O)N1CCO[C@H](CNC(=O)CCSCc2ccccc2)C1
InChIInChI=1S/C17H24N2O3S/c1-14(20)19-8-9-22-16(12-19)11-18-17(21)7-10-23-13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyCSFUYYRANGTQEI-MRXNPFEDSA-N
MW336.46 g/mol
LogP1.67
Rot. Bonds7

About N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide

N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide (PubChem CID 125174342) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide
PubChem CID125174342
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide
SMILESCC(=O)N1CCO[C@H](CNC(=O)CCSCc2ccccc2)C1
InChIInChI=1S/C17H24N2O3S/c1-14(20)19-8-9-22-16(12-19)11-18-17(21)7-10-23-13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyCSFUYYRANGTQEI-MRXNPFEDSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide
CID 124610150
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 43064031
3-benzylsulfanyl-N-propylpropanamide
CID 8797529
N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 56758878
1-[4-(3-benzylsulfanylpropyl)piperazin-1-yl]ethanone
CID 75434924
3-benzylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767349
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
CID 59866910
CID 59866910
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide?
The IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide (CID 125174342) is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide.
What is the SMILES notation for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide?
The canonical SMILES for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide is CC(=O)N1CCO[C@H](CNC(=O)CCSCc2ccccc2)C1.
What is the InChIKey of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide?
The InChIKey is CSFUYYRANGTQEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-14(20)19-8-9-22-16(12-19)11-18-17(21)7-10-23-13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,21)/t16-/m1/s1.
What are the key properties of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide?
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide has a molecular weight of 336.46 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide is sourced from PubChem (CID 125174342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).