2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide

C12H19N3O3S — CID 43578991

IUPAC2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(2)15(8-12(14)16)19(17,18)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H2,14,16)
InChIKeyIUBULQWXEOCMRH-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.03
Rot. Bonds6

About 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide

2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide (PubChem CID 43578991) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
PubChem CID43578991
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(2)15(8-12(14)16)19(17,18)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H2,14,16)
InChIKeyIUBULQWXEOCMRH-UHFFFAOYSA-N
XLogP0.03
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685
2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 18170875
2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 17470000
2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 43576035
4-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]-2-chlorobenzoic acid
CID 107089932
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
CID 62923168
2-[(3-cyano-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 63239746
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 115684041
N'-hydroxy-2-[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]ethanimidamide
CID 77044628
2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
CID 102691712
2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923333

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide (CID 43578991) is 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)S(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide?
The InChIKey is IUBULQWXEOCMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(2)15(8-12(14)16)19(17,18)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide?
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 43578991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).