N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide

C13H17Cl2N3OS — CID 29041816

IUPACN-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCN1CCSCC1
InChIInChI=1S/C13H17Cl2N3OS/c14-9-7-10(15)13(11(16)8-9)17-12(19)1-2-18-3-5-20-6-4-18/h7-8H,1-6,16H2,(H,17,19)
InChIKeyHYIJNDGTVNWCTH-UHFFFAOYSA-N
MW334.27 g/mol
LogP2.95
Rot. Bonds4

About N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide

N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide (PubChem CID 29041816) has the molecular formula C13H17Cl2N3OS and a molecular weight of 334.27 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide
PubChem CID29041816
Molecular FormulaC13H17Cl2N3OS
Molecular Weight334.27 g/mol
Exact Mass333.05
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCN1CCSCC1
InChIInChI=1S/C13H17Cl2N3OS/c14-9-7-10(15)13(11(16)8-9)17-12(19)1-2-18-3-5-20-6-4-18/h7-8H,1-6,16H2,(H,17,19)
InChIKeyHYIJNDGTVNWCTH-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide
CID 62881177
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 43619929
N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide
CID 91837660
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886349
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 29276726
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
CID 61286405
N-(2-amino-4,6-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43590065
N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
CID 61304232

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide (CID 29041816) is N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CCN1CCSCC1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide?
The InChIKey is HYIJNDGTVNWCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3OS/c14-9-7-10(15)13(11(16)8-9)17-12(19)1-2-18-3-5-20-6-4-18/h7-8H,1-6,16H2,(H,17,19).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide?
N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide has a molecular weight of 334.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 29041816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).