N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide

C16H25N3OS — CID 119941241

IUPACN-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(CNC(=O)CC1CSCCN1)N(C)c1ccccc1
InChIInChI=1S/C16H25N3OS/c1-13(19(2)15-6-4-3-5-7-15)11-18-16(20)10-14-12-21-9-8-17-14/h3-7,13-14,17H,8-12H2,1-2H3,(H,18,20)
InChIKeyJWYQTJALCXJJQD-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.72
Rot. Bonds6

About N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide

N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941241) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941241
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(CNC(=O)CC1CSCCN1)N(C)c1ccccc1
InChIInChI=1S/C16H25N3OS/c1-13(19(2)15-6-4-3-5-7-15)11-18-16(20)10-14-12-21-9-8-17-14/h3-7,13-14,17H,8-12H2,1-2H3,(H,18,20)
InChIKeyJWYQTJALCXJJQD-UHFFFAOYSA-N
XLogP1.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide 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-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 102562600
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936632
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941703
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
methyl 2-methyl-3-phenyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119940444
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875
N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939067
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide (CID 119941241) is N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide is CC(CNC(=O)CC1CSCCN1)N(C)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is JWYQTJALCXJJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-13(19(2)15-6-4-3-5-7-15)11-18-16(20)10-14-12-21-9-8-17-14/h3-7,13-14,17H,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 307.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).