N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine

C16H26N2OS — CID 118585226

IUPACN-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCSCc1ccccc1)CCN1CCOCC1
InChIInChI=1S/C16H26N2OS/c1-17(7-8-18-9-12-19-13-10-18)11-14-20-15-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyAUQBUDNCOSGVIU-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.18
Rot. Bonds8

About N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine

N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine (PubChem CID 118585226) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine
PubChem CID118585226
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCSCc1ccccc1)CCN1CCOCC1
InChIInChI=1S/C16H26N2OS/c1-17(7-8-18-9-12-19-13-10-18)11-14-20-15-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyAUQBUDNCOSGVIU-UHFFFAOYSA-N
XLogP2.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 158289932
N-benzyl-N-[2-(cyclohexa-1,3-dien-5-yn-1-ylmethylsulfanyl)ethyl]-2-morpholin-4-ylethanamine
CID 146353288
4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine
CID 110176808
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 29259012
3-[[methyl(2-morpholin-4-ylethyl)amino]methyl]benzenecarbothioamide
CID 62966538
methane;4-(2-phenylethyl)morpholine
CID 143698819
N-(2-benzylsulfanylethyl)-2-diphenylphosphoryl-N-methylethanamine
CID 118584966
N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
CID 54600904
N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28577606
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 118584944

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine?
The IUPAC name of N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine (CID 118585226) is N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine?
The canonical SMILES for N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine is CN(CCSCc1ccccc1)CCN1CCOCC1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine?
The InChIKey is AUQBUDNCOSGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-17(7-8-18-9-12-19-13-10-18)11-14-20-15-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine?
N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine has a molecular weight of 294.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine is sourced from PubChem (CID 118585226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).