2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide

C10H15N3O3S — CID 43461206

IUPAC2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C10H15N3O3S/c1-17(15,16)13(7-10(12)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7,11H2,1H3,(H2,12,14)
InChIKeyOCKILMYAPCXVLM-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.48
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide

2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 43461206) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID43461206
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C10H15N3O3S/c1-17(15,16)13(7-10(12)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7,11H2,1H3,(H2,12,14)
InChIKeyOCKILMYAPCXVLM-UHFFFAOYSA-N
XLogP-0.48
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide (CID 43461206) is 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is OCKILMYAPCXVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-17(15,16)13(7-10(12)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7,11H2,1H3,(H2,12,14).
What are the key properties of 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide?
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 257.31 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 43461206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).