3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide

C13H21N3O3S — CID 106915105

IUPAC3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C13H21N3O3S/c1-15-13(17)8-10-16(2)20(18,19)12-5-3-11(4-6-12)7-9-14/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyWSROOOJXJZGBQA-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.06
Rot. Bonds7

About 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide

3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide (PubChem CID 106915105) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide
PubChem CID106915105
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C13H21N3O3S/c1-15-13(17)8-10-16(2)20(18,19)12-5-3-11(4-6-12)7-9-14/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyWSROOOJXJZGBQA-UHFFFAOYSA-N
XLogP-0.06
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81059115
3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106916938
4-(2-aminoethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63208977
methyl 3-[[4-(bromomethyl)phenyl]sulfonyl-methylamino]propanoate
CID 65481618
3-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106915583
3-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]propanoic acid
CID 54876098
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 62854746
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913988
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
3-[3-aminopropylsulfonyl(methyl)amino]-N-methylpropanamide
CID 106915137
4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734191
2-[[4-(2-chloroethyl)phenyl]sulfonyl-propylamino]-N-methylacetamide
CID 61042103

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide (CID 106915105) is 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)S(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide?
The InChIKey is WSROOOJXJZGBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15-13(17)8-10-16(2)20(18,19)12-5-3-11(4-6-12)7-9-14/h3-6H,7-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide?
3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide has a molecular weight of 299.40 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106915105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).