2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide

C11H17N3O3S — CID 43310982

IUPAC2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H17N3O3S/c1-14(2)11(15)8-13-18(16,17)10-5-3-9(7-12)4-6-10/h3-6,13H,7-8,12H2,1-2H3
InChIKeyGVKSHQSAYUKNKW-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.49
Rot. Bonds5

About 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide

2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide (PubChem CID 43310982) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide
PubChem CID43310982
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H17N3O3S/c1-14(2)11(15)8-13-18(16,17)10-5-3-9(7-12)4-6-10/h3-6,13H,7-8,12H2,1-2H3
InChIKeyGVKSHQSAYUKNKW-UHFFFAOYSA-N
XLogP-0.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide
CID 106919128
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293
2-[[4-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N,N-dimethylacetamide
CID 60824309
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 102537257
N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 43552821
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide
CID 174608104
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 107089911
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide
CID 55433934
[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826725

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide (CID 43310982) is 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide?
The InChIKey is GVKSHQSAYUKNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-14(2)11(15)8-13-18(16,17)10-5-3-9(7-12)4-6-10/h3-6,13H,7-8,12H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide?
2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide has a molecular weight of 271.34 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43310982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).