2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide

C10H15N3O3S — CID 106996555

IUPAC2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC(N)=O
InChIInChI=1S/C10H15N3O3S/c1-7-4-8(5-11)2-3-9(7)17(15,16)13-6-10(12)14/h2-4,13H,5-6,11H2,1H3,(H2,12,14)
InChIKeyFZPYOAPUSKAECG-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.78
Rot. Bonds5

About 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide

2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide (PubChem CID 106996555) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
PubChem CID106996555
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC(N)=O
InChIInChI=1S/C10H15N3O3S/c1-7-4-8(5-11)2-3-9(7)17(15,16)13-6-10(12)14/h2-4,13H,5-6,11H2,1H3,(H2,12,14)
InChIKeyFZPYOAPUSKAECG-UHFFFAOYSA-N
XLogP-0.78
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide
CID 106997106
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106996904
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide (CID 106996555) is 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide is Cc1cc(CN)ccc1S(=O)(=O)NCC(N)=O.
What is the InChIKey of 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide?
The InChIKey is FZPYOAPUSKAECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7-4-8(5-11)2-3-9(7)17(15,16)13-6-10(12)14/h2-4,13H,5-6,11H2,1H3,(H2,12,14).
What are the key properties of 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide?
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide has a molecular weight of 257.31 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide is sourced from PubChem (CID 106996555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).