N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide

C12H16ClN3OS — CID 28786787

IUPACN-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide
SMILESNc1cc(NC(=O)CN2CCSCC2)ccc1Cl
InChIInChI=1S/C12H16ClN3OS/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8,14H2,(H,15,17)
InChIKeyHKUKRVJJRRMCSR-UHFFFAOYSA-N
MW285.80 g/mol
LogP1.91
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide

N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide (PubChem CID 28786787) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide
PubChem CID28786787
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC NameN-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide
SMILESNc1cc(NC(=O)CN2CCSCC2)ccc1Cl
InChIInChI=1S/C12H16ClN3OS/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8,14H2,(H,15,17)
InChIKeyHKUKRVJJRRMCSR-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 51.91
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-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-amino-4-fluorophenyl)-2-(1,4-thiazepan-4-yl)acetamide
CID 61418614
N-(3-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83144848
N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63605035
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(3-amino-4-chlorophenyl)acetamide
CID 79928265
N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956361
bis(2-thiomorpholin-4-yl-N-[6-[(2-thiomorpholin-4-ylacetyl)amino]acridin-3-yl]acetamide);hydrate
CID 88824310
N-(3-amino-4-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 64577650
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide (CID 28786787) is N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide is Nc1cc(NC(=O)CN2CCSCC2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide?
The InChIKey is HKUKRVJJRRMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8,14H2,(H,15,17).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide?
N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide has a molecular weight of 285.80 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 28786787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).