2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide

C11H17N3O3S — CID 103101685

IUPAC2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H17N3O3S/c1-2-14(8-11(13)15)18(16,17)10-5-3-9(7-12)4-6-10/h3-6H,2,7-8,12H2,1H3,(H2,13,15)
InChIKeyWDEOOPKAQUVEFO-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.36
Rot. Bonds6

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

2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide (PubChem CID 103101685) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
PubChem CID103101685
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H17N3O3S/c1-2-14(8-11(13)15)18(16,17)10-5-3-9(7-12)4-6-10/h3-6H,2,7-8,12H2,1H3,(H2,13,15)
InChIKeyWDEOOPKAQUVEFO-UHFFFAOYSA-N
XLogP-0.36
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
2-[ethyl-[4-[1-(ethylamino)ethyl]phenyl]sulfonylamino]acetamide
CID 103102881
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103101549
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923333
2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
CID 62923168
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 6461900
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
CID 106919288
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 43440509
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]acetamide
CID 103101696

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide (CID 103101685) is 2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide?
The InChIKey is WDEOOPKAQUVEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-14(8-11(13)15)18(16,17)10-5-3-9(7-12)4-6-10/h3-6H,2,7-8,12H2,1H3,(H2,13,15).
What are the key properties of 2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide?
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide has a molecular weight of 271.34 g/mol, XLogP of -0.36, 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-ethylamino]acetamide is sourced from PubChem (CID 103101685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).