2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide

C10H15N3O3S — CID 62020888

IUPAC2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C10H15N3O3S/c1-13(6-10(12)14)17(15,16)7-8-4-2-3-5-9(8)11/h2-5H,6-7,11H2,1H3,(H2,12,14)
InChIKeyYCXZJWJYQWEVQU-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.48
Rot. Bonds5

About 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide

2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide (PubChem CID 62020888) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
PubChem CID62020888
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C10H15N3O3S/c1-13(6-10(12)14)17(15,16)7-8-4-2-3-5-9(8)11/h2-5H,6-7,11H2,1H3,(H2,12,14)
InChIKeyYCXZJWJYQWEVQU-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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Related Compounds

methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
CID 62020164
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide
CID 62020724
2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
CID 62020901
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
1-(2-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63879084
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
2-[(2-carbamothioylphenyl)methylsulfonyl-methylamino]-N-methylacetamide
CID 43375339

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide (CID 62020888) is 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide is CN(CC(N)=O)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide?
The InChIKey is YCXZJWJYQWEVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-13(6-10(12)14)17(15,16)7-8-4-2-3-5-9(8)11/h2-5H,6-7,11H2,1H3,(H2,12,14).
What are the key properties of 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide?
2-[(2-aminophenyl)methylsulfonyl-methylamino]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-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide is sourced from PubChem (CID 62020888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).